3-(2,6-dimethylphenyl)cyclohexan-1-one

C14H18O — CID 24723962

IUPAC3-(2,6-dimethylphenyl)cyclohexan-1-one
SMILESCc1cccc(C)c1C1CCCC(=O)C1
InChIInChI=1S/C14H18O/c1-10-5-3-6-11(2)14(10)12-7-4-8-13(15)9-12/h3,5-6,12H,4,7-9H2,1-2H3
InChIKeyGSXZEDJTHRQYOR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.53
Rot. Bonds1

About 3-(2,6-dimethylphenyl)cyclohexan-1-one

3-(2,6-dimethylphenyl)cyclohexan-1-one (PubChem CID 24723962) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)cyclohexan-1-one
PubChem CID24723962
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-(2,6-dimethylphenyl)cyclohexan-1-one
SMILESCc1cccc(C)c1C1CCCC(=O)C1
InChIInChI=1S/C14H18O/c1-10-5-3-6-11(2)14(10)12-7-4-8-13(15)9-12/h3,5-6,12H,4,7-9H2,1-2H3
InChIKeyGSXZEDJTHRQYOR-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,6-dimethylphenyl)cyclohexane-1,3-dione
CID 52939086
3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one
CID 103852540
(3R)-3-phenylcyclohexan-1-one
CID 11041212
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
3-(2,3-dimethylphenoxy)cyclohexan-1-one
CID 79618363
3-(4-fluoro-2-methylphenyl)cycloheptan-1-one
CID 64504558
3-(2,3-dichlorophenyl)cyclohexan-1-one
CID 64520336
3-(2,3-dimethylbenzoyl)cyclohexan-1-one
CID 79625320
3-(6-bromo-2-pyridinyl)cyclohexan-1-one
CID 130044737
5-(2-chloro-6-methylphenyl)cyclohexane-1,3-dione
CID 143450624
3-(2-butyl-1-benzofuran-3-yl)cyclohexan-1-one
CID 102385816
3-(3-oxocyclohexyl)benzoic acid
CID 115030552

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)cyclohexan-1-one?
The IUPAC name of 3-(2,6-dimethylphenyl)cyclohexan-1-one (CID 24723962) is 3-(2,6-dimethylphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)cyclohexan-1-one is Cc1cccc(C)c1C1CCCC(=O)C1.
What is the InChIKey of 3-(2,6-dimethylphenyl)cyclohexan-1-one?
The InChIKey is GSXZEDJTHRQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-5-3-6-11(2)14(10)12-7-4-8-13(15)9-12/h3,5-6,12H,4,7-9H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)cyclohexan-1-one?
3-(2,6-dimethylphenyl)cyclohexan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)cyclohexan-1-one is sourced from PubChem (CID 24723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).