(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone

C16H22O — CID 106826512

IUPAC(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
SMILESCc1ccc(C)c(C(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C16H22O/c1-12-7-8-13(2)14(11-12)15(17)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyHGLRFSBGXPXLRJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.46
Rot. Bonds2

About (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone

(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106826512) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
PubChem CID106826512
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
SMILESCc1ccc(C)c(C(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C16H22O/c1-12-7-8-13(2)14(11-12)15(17)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyHGLRFSBGXPXLRJ-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(2-methylthiolan-2-yl)methanone
CID 81451390
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
1-(2,5-dimethylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921810
(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750353
(5-bromo-2-methylthiophen-3-yl)-(1-methylcyclohexyl)methanone
CID 106826637
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine
CID 118451758

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone (CID 106826512) is (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone is Cc1ccc(C)c(C(=O)C2(C)CCCCC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is HGLRFSBGXPXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-7-8-13(2)14(11-12)15(17)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone?
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106826512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).