(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone

C16H22O — CID 107186637

IUPAC(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H22O/c1-12-8-4-5-9-13(12)15(17)14-10-6-7-11-16(14,2)3/h4-5,8-9,14H,6-7,10-11H2,1-3H3
InChIKeySYXIYQNBJHBIEY-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.39
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone

(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone (PubChem CID 107186637) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
PubChem CID107186637
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H22O/c1-12-8-4-5-9-13(12)15(17)14-10-6-7-11-16(14,2)3/h4-5,8-9,14H,6-7,10-11H2,1-3H3
InChIKeySYXIYQNBJHBIEY-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone (CID 107186637) is (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone?
The InChIKey is SYXIYQNBJHBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-8-4-5-9-13(12)15(17)14-10-6-7-11-16(14,2)3/h4-5,8-9,14H,6-7,10-11H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone?
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 107186637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).