[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone

C19H20O2 — CID 163782869

IUPAC[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C1CCCC(O)C1
InChIInChI=1S/C19H20O2/c20-16-10-6-9-15(13-16)17-11-4-5-12-18(17)19(21)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16,20H,6,9-10,13H2
InChIKeyMQBPTYSBFMAARS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.94
Rot. Bonds3

About [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone

[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone (PubChem CID 163782869) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone
PubChem CID163782869
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C1CCCC(O)C1
InChIInChI=1S/C19H20O2/c20-16-10-6-9-15(13-16)17-11-4-5-12-18(17)19(21)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16,20H,6,9-10,13H2
InChIKeyMQBPTYSBFMAARS-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 114601779
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 105134655
(2-cyclopentylphenyl)-(3-methoxyphenyl)methanone
CID 67555380
(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813675
(3-bromo-5-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601946
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
2-(3-sulfanylcyclohexyl)benzamide
CID 166057237
2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone
CID 174749442

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone (CID 163782869) is [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C1CCCC(O)C1.
What is the InChIKey of [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone?
The InChIKey is MQBPTYSBFMAARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-16-10-6-9-15(13-16)17-11-4-5-12-18(17)19(21)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16,20H,6,9-10,13H2.
What are the key properties of [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone?
[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone is sourced from PubChem (CID 163782869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).