[(3S)-3-methylcyclohexyl]-phenylmethanone

C14H18O — CID 134867416

IUPAC[(3S)-3-methylcyclohexyl]-phenylmethanone
SMILESC[C@H]1CCCC(C(=O)c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyOUJVBRZBCVYDDY-AMGKYWFPSA-N
MW202.30 g/mol
LogP3.70
Rot. Bonds2

About [(3S)-3-methylcyclohexyl]-phenylmethanone

[(3S)-3-methylcyclohexyl]-phenylmethanone (PubChem CID 134867416) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is [(3S)-3-methylcyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-methylcyclohexyl]-phenylmethanone
PubChem CID134867416
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name[(3S)-3-methylcyclohexyl]-phenylmethanone
SMILESC[C@H]1CCCC(C(=O)c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyOUJVBRZBCVYDDY-AMGKYWFPSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide
CID 177177515
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
CID 165038492
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
benzoic acid;methylcyclopentane
CID 68907828

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylcyclohexyl]-phenylmethanone?
The IUPAC name of [(3S)-3-methylcyclohexyl]-phenylmethanone (CID 134867416) is [(3S)-3-methylcyclohexyl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-methylcyclohexyl]-phenylmethanone?
The canonical SMILES for [(3S)-3-methylcyclohexyl]-phenylmethanone is C[C@H]1CCCC(C(=O)c2ccccc2)C1.
What is the InChIKey of [(3S)-3-methylcyclohexyl]-phenylmethanone?
The InChIKey is OUJVBRZBCVYDDY-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of [(3S)-3-methylcyclohexyl]-phenylmethanone?
[(3S)-3-methylcyclohexyl]-phenylmethanone has a molecular weight of 202.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylcyclohexyl]-phenylmethanone is sourced from PubChem (CID 134867416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).