(2-methylcyclohex-2-en-1-yl)-phenylmethanone

C14H16O — CID 24976480

IUPAC(2-methylcyclohex-2-en-1-yl)-phenylmethanone
SMILESCC1=CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H16O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyCXQLVQDWUHVMEP-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.62
Rot. Bonds2

About (2-methylcyclohex-2-en-1-yl)-phenylmethanone

(2-methylcyclohex-2-en-1-yl)-phenylmethanone (PubChem CID 24976480) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-methylcyclohex-2-en-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methylcyclohex-2-en-1-yl)-phenylmethanone
PubChem CID24976480
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2-methylcyclohex-2-en-1-yl)-phenylmethanone
SMILESCC1=CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H16O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyCXQLVQDWUHVMEP-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
CID 24977107
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
2-benzoylcyclotridecan-1-one
CID 101422484
phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
CID 91417064
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
(2-methylidenecycloheptyl)-phenylmethanone
CID 100964803
[(1S)-2-methylidenecycloheptyl]-phenylmethanone
CID 102046859
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
3-benzoylazepan-2-one
CID 569544
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohex-2-en-1-yl)-phenylmethanone?
The IUPAC name of (2-methylcyclohex-2-en-1-yl)-phenylmethanone (CID 24976480) is (2-methylcyclohex-2-en-1-yl)-phenylmethanone.
What is the SMILES notation for (2-methylcyclohex-2-en-1-yl)-phenylmethanone?
The canonical SMILES for (2-methylcyclohex-2-en-1-yl)-phenylmethanone is CC1=CCCCC1C(=O)c1ccccc1.
What is the InChIKey of (2-methylcyclohex-2-en-1-yl)-phenylmethanone?
The InChIKey is CXQLVQDWUHVMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3.
What are the key properties of (2-methylcyclohex-2-en-1-yl)-phenylmethanone?
(2-methylcyclohex-2-en-1-yl)-phenylmethanone has a molecular weight of 200.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohex-2-en-1-yl)-phenylmethanone is sourced from PubChem (CID 24976480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).