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

C14H16O — CID 130517989

IUPAC2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2=CCCCC2=O)c(C)c1
InChIInChI=1S/C14H16O/c1-10-7-8-12(11(2)9-10)13-5-3-4-6-14(13)15/h5,7-9H,3-4,6H2,1-2H3
InChIKeyLAAMFXKBGGZGKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.44
Rot. Bonds1

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

2-(2,4-dimethylphenyl)cyclohex-2-en-1-one (PubChem CID 130517989) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
PubChem CID130517989
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2=CCCCC2=O)c(C)c1
InChIInChI=1S/C14H16O/c1-10-7-8-12(11(2)9-10)13-5-3-4-6-14(13)15/h5,7-9H,3-4,6H2,1-2H3
InChIKeyLAAMFXKBGGZGKT-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

Analyze 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 130518036
2-(3-chloro-4-methylphenyl)cyclohex-2-en-1-one
CID 130518080
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
CID 107382852
3-(2,4-dimethylphenyl)cyclohex-2-en-1-one
CID 23529827
2-(4-methoxy-2-nitrophenyl)cyclohex-2-en-1-one
CID 11368611
7-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 10727167
2-(2,4-dimethylphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
CID 59052499
2,4-dimethyl-1-(2-methylcyclopenten-1-yl)benzene
CID 157161227
2-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]cyclohex-2-en-1-one
CID 142982016
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 45098257
2-(cyclohexen-1-yl)cyclohex-2-en-1-one
CID 122375169

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one (CID 130517989) is 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one is Cc1ccc(C2=CCCCC2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
The InChIKey is LAAMFXKBGGZGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-7-8-12(11(2)9-10)13-5-3-4-6-14(13)15/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one?
2-(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 2-(2,4-dimethylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 130517989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).