Basic information
- CAS
19115-30-1- Standard SMILES
C#CC(O)c1ccc(OC)cc1- InChIKey
NJWJWMOLQUOFJR-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Overview
synthetic acetylenic analog of estragole; structure given in first source
Names & identifiers
- Preferred name
- alpha-Ethynyl-4-methoxybenzenemethanol
- IUPAC
- 1-(4-methoxyphenyl)prop-2-yn-1-ol
- English name
- 1'-hydroxy-2',3'-dehydroestragole
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
19115-30-11'-Hydroxy-2',3'-dehydroestragolealpha-Ethynyl-4-methoxybenzenemethanolOHDHERefChem:9155161-(4-methoxyphenyl)prop-2-yn-1-ol1-(4-methoxyphenyl)-2-propyn-1-olMFCD01732756BRN 2089996Benzenemethanol, alpha-ethynyl-4-methoxy-alpha-Ethynyl-p-methoxybenzyl alcoholDTXSID20940717
Show more names
α-Ethynyl-4-methoxybenzenemethanolBenzenemethanol, α-ethynyl-4-methoxy-
NJWJWMOLQUOFJR-UHFFFAOYSA-NBENZYL ALCOHOL, alpha-ETHYNYL-p-METHOXY-4-06-00-06456 (Beilstein Handbook Reference)SCHEMBL6168264|A-Ethynyl-4-methoxybenzenemethanolAC5064AKOS006279322HS-3661
Database identifiers
- CAS
19115-30-1- PubChem CID
- 29433
- DTXSID
DTXSID20940717- Nikkaji
- J582.980A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 228.88 °C · 228.88°C (rough estimate)
- Density
- 1.0281 · 1.0281 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Chemistry & industry
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
四川山冈生物医药科技有限公司13990000934,13076045191 13990000934 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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