(2-cyclohexylphenyl)-(2-methylphenyl)methanone

C20H22O — CID 86030332

IUPAC(2-cyclohexylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccccc1C1CCCCC1
InChIInChI=1S/C20H22O/c1-15-9-5-6-12-17(15)20(21)19-14-8-7-13-18(19)16-10-3-2-4-11-16/h5-9,12-14,16H,2-4,10-11H2,1H3
InChIKeyBIABHYVQXIITOX-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.27
Rot. Bonds3

About (2-cyclohexylphenyl)-(2-methylphenyl)methanone

(2-cyclohexylphenyl)-(2-methylphenyl)methanone (PubChem CID 86030332) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2-cyclohexylphenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylphenyl)-(2-methylphenyl)methanone
PubChem CID86030332
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(2-cyclohexylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccccc1C1CCCCC1
InChIInChI=1S/C20H22O/c1-15-9-5-6-12-17(15)20(21)19-14-8-7-13-18(19)16-10-3-2-4-11-16/h5-9,12-14,16H,2-4,10-11H2,1H3
InChIKeyBIABHYVQXIITOX-UHFFFAOYSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
(2-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602101
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-cyclohexyl-N-oxobenzamide
CID 88502086
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114602090
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790265
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
2-cyclopentylbenzohydrazide
CID 68852694

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenyl)-(2-methylphenyl)methanone?
The IUPAC name of (2-cyclohexylphenyl)-(2-methylphenyl)methanone (CID 86030332) is (2-cyclohexylphenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-cyclohexylphenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-cyclohexylphenyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenyl)-(2-methylphenyl)methanone?
The InChIKey is BIABHYVQXIITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-15-9-5-6-12-17(15)20(21)19-14-8-7-13-18(19)16-10-3-2-4-11-16/h5-9,12-14,16H,2-4,10-11H2,1H3.
What are the key properties of (2-cyclohexylphenyl)-(2-methylphenyl)methanone?
(2-cyclohexylphenyl)-(2-methylphenyl)methanone has a molecular weight of 278.40 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 86030332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).