Basic information
- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccccc2)cc1- InChIKey
XUFXKBJMCRJATM-FMIVXFBMSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Overview
4-methoxychalcone has been reported in Ficus lyrata with data available.
Names & identifiers
- Preferred name
- 4-Methoxychalcone
- IUPAC
- (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
- English name
- (E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
4-Methoxychalcone959-33-1(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-oneChalcone, 4-methoxy-2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one4'-Methoxybenzylideneacetophenone4-methoxy chalconep-Methoxyphenyl styryl ketoneNSC 11866CCRIS 2230EINECS 213-499-7
Show more names
Nsc1702874-Methoxy-trans-chalconeTrans-4-Methoxy-Chalcone(E)-β-(4-Methoxyphenyl)acrylophenone(αE)-β-(4-Methoxyphenyl)acrylophenone(2E)-1-Phenyl-3-(4-methoxyphenyl)-2-propene-1-one
AI3-17319RefChem:524770Chalcone, 4-methoxy-(8CI)2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-(9CI)213-499-722252-15-9(2E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one(E)-4-Methoxychalcone
Database identifiers
- CAS
22252-15-9、959-33-1- PubChem CID
- 641819
- DTXSID
DTXSID601313945- ChEMBL
CHEMBL105496- EC Number
- 213-499-7
- Nikkaji
- J150.791E、J47.291C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
LogP3.67
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Linked notes
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