3-(2,4-dimethylphenyl)cyclohex-2-en-1-one

C14H16O — CID 23529827

IUPAC3-(2,4-dimethylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2=CC(=O)CCC2)c(C)c1
InChIInChI=1S/C14H16O/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-9H,3-5H2,1-2H3
InChIKeyLIRHJWMTTJQIQN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.44
Rot. Bonds1

About 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one

3-(2,4-dimethylphenyl)cyclohex-2-en-1-one (PubChem CID 23529827) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)cyclohex-2-en-1-one
PubChem CID23529827
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name3-(2,4-dimethylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2=CC(=O)CCC2)c(C)c1
InChIInChI=1S/C14H16O/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-9H,3-5H2,1-2H3
InChIKeyLIRHJWMTTJQIQN-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
CID 107382852
2,4-dimethyl-1-(3-methylidenecyclohexen-1-yl)benzene
CID 23529813
3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 83390782
3-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 22758242
2,4-dimethyl-1-(2-methylcyclopenten-1-yl)benzene
CID 157161227
2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
CID 130517989
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
3-(2,4-dimethylphenyl)sulfanylcyclopent-2-en-1-one
CID 104788065
3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopent-2-en-1-one
CID 70182558
3-(1-methylindol-3-yl)cyclohex-2-en-1-one
CID 83537181
2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
CID 59052499
7-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 10727167

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one (CID 23529827) is 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one is Cc1ccc(C2=CC(=O)CCC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The InChIKey is LIRHJWMTTJQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
3-(2,4-dimethylphenyl)cyclohex-2-en-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 23529827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).