Basic information
- Standard SMILES
COc1ccc(C=CC(=O)c2cc(Cl)ccc2O)cc1- InChIKey
WGKASIDCKLLXKI-UHFFFAOYSA-N- Molecular formula
- C16H13ClO3
- Average molar mass
- 288.72 g/mol
- Monoisotopic mass
- 288.05532196
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- English name
- 1-(5-Chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- Molecular formula
- C16H13ClO3
- Molecular weight
- 288.73
Names & synonyms
1226-09-11-(5-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneSCHEMBL10829683DTXSID30332785DB-0155372-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)-
Database identifiers
- CAS
1226-09-1- PubChem CID
- 466248
- DTXSID
DTXSID30332785
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
chakrachem Lifesciences[email protected]
Ryan Scientific, Inc.[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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