(3-methylcyclohexyl)-(2-methylphenyl)methanone

C15H20O — CID 54592977

IUPAC(3-methylcyclohexyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C15H20O/c1-11-6-5-8-13(10-11)15(16)14-9-4-3-7-12(14)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3
InChIKeyYVACPWCVELGCKB-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.00
Rot. Bonds2

About (3-methylcyclohexyl)-(2-methylphenyl)methanone

(3-methylcyclohexyl)-(2-methylphenyl)methanone (PubChem CID 54592977) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(2-methylphenyl)methanone
PubChem CID54592977
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(3-methylcyclohexyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C15H20O/c1-11-6-5-8-13(10-11)15(16)14-9-4-3-7-12(14)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3
InChIKeyYVACPWCVELGCKB-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-(2-methylphenyl)methanone
CID 80602643
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
(3-methylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79991728
(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
CID 114976383
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612513
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(2-methylphenyl)methanone?
The IUPAC name of (3-methylcyclohexyl)-(2-methylphenyl)methanone (CID 54592977) is (3-methylcyclohexyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-methylcyclohexyl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-methylcyclohexyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)C1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl)-(2-methylphenyl)methanone?
The InChIKey is YVACPWCVELGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-6-5-8-13(10-11)15(16)14-9-4-3-7-12(14)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(2-methylphenyl)methanone?
(3-methylcyclohexyl)-(2-methylphenyl)methanone has a molecular weight of 216.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 54592977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).