NoName_1559
Basic information
- CAS
85045-68-7- Standard SMILES
O=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1- InChIKey
XYRCRRIFXONMTB-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- NoName_1559
- IUPAC
- 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid
- English name
- alpha-(1-Hydroxycyclohexyl)-biphenylacetic acid, (-)-
- Molecular formula
- C20H22O3
- Molecular weight
- 310.39
Names & synonyms
NoName_1559RefChem:1092502DTXSID60902319DTXCID801330551(-)-alpha-(1-Hydroxycyclohexyl)-(1,1'-biphenyl)-4-acetic acid(1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxycyclohexyl)-, (+)-(1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxycyclohexyl)-, (-)-85045-68-785045-69-8SCHEMBL3956434(+)-alpha-(1-Hydroxycyclohexyl)-(1,1'-biphenyl)-4-acetic acidAKOS005145241
Show more names
alpha-(1-Hydroxycyclohexyl)-biphenylacetic acid, (-)-
Database identifiers
- CAS
85045-68-7、85045-69-8- PubChem CID
- 3069705
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
LogP4.75
Physicochemical properties
- Boiling point
- 504.695 · 504.695±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.223 · 4.223±0.10(predicted)
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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