Basic information
- CAS
141184-48-7- Standard SMILES
COc1ccc(C(C)=O)cc1OC1CCCC1- InChIKey
YPTGMHTXWIENQT-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 1-(3-(Cyclopentyloxy)-4-methoxyphenyl)ethanone
- IUPAC
- 1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
- English name
- 1-(3-(Cyclopentyloxy)-4-methoxyphenyl)ethanone
- Molecular formula
- C14H18O3
- Molecular weight
- 234.29
Names & synonyms
141184-48-71-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)ETHANONE1-[3-(cyclopentyloxy)-4-methoxyphenyl]Ethanone1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone1-(3-(Cyclopentyloxy)-4-methoxyphenyl)ethan-1-one1-[3-(Cyclopentyloxy)-4-methoxyphenyl]ethan-1-oneSCHEMBL128167DTXSID70471768YPTGMHTXWIENQT-UHFFFAOYSA-N1-(3-cyclopentoxy-4-methoxyphenyl)ethanoneDB-063366CS-0104829
Show more names
1-[3-(cyclopentoxy)-4-methoxy-phenyl]ethanoneF529951-[3-(cyclopentyloxy)-4-methoxyphenyl]-ethanoneEthanone, 1-[3-(cyclopentyloxy)-4-methoxyphenyl]-
Database identifiers
- CAS
141184-48-7- PubChem CID
- 11746579
- DTXSID
DTXSID70471768
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 127 · 127-129 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 356.6 · 356.6±22.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
苏州美石生物科技有限公司1173954148q · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
8 records
Compound notes
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