(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one

C15H18O — CID 164669752

IUPAC(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one
SMILESCc1cc(C)cc([C@@H]2C=CC(=O)CCC2)c1
InChIInChI=1S/C15H18O/c1-11-8-12(2)10-14(9-11)13-4-3-5-15(16)7-6-13/h6-10,13H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyDEOUREBEXWAPEO-ZDUSSCGKSA-N
MW214.31 g/mol
LogP3.70
Rot. Bonds1

About (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one

(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one (PubChem CID 164669752) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one
PubChem CID164669752
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one
SMILESCc1cc(C)cc([C@@H]2C=CC(=O)CCC2)c1
InChIInChI=1S/C15H18O/c1-11-8-12(2)10-14(9-11)13-4-3-5-15(16)7-6-13/h6-10,13H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyDEOUREBEXWAPEO-ZDUSSCGKSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-4-(3,5-dimethylphenyl)cyclohept-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

4-methylcyclooct-2-en-1-one
CID 91000254
3-(3,5-dimethylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 43841876
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
2-(3,5-dimethylphenyl)cyclopentan-1-ol
CID 2758611
methylcyclopentane;1,3,5-trimethylbenzene
CID 159091428
3-(3,5-dimethylanilino)cyclohex-2-en-1-one
CID 1280882
2-(3-fluoro-5-methylphenyl)cycloheptan-1-one
CID 79705167
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
6-(3,5-dimethylphenyl)piperidine-2,4-dione
CID 83821744
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
CID 70255999
(2E)-13-azabicyclo[10.1.0]trideca-2,12-dien-4-one
CID 23258024
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one?
The IUPAC name of (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one (CID 164669752) is (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one.
What is the SMILES notation for (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one?
The canonical SMILES for (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one is Cc1cc(C)cc([C@@H]2C=CC(=O)CCC2)c1.
What is the InChIKey of (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one?
The InChIKey is DEOUREBEXWAPEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18O/c1-11-8-12(2)10-14(9-11)13-4-3-5-15(16)7-6-13/h6-10,13H,3-5H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one?
(4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-dimethylphenyl)cyclohept-2-en-1-one is sourced from PubChem (CID 164669752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).