3-(2-methylphenyl)cyclohex-2-en-1-one

C13H14O — CID 53254684

IUPAC3-(2-methylphenyl)cyclohex-2-en-1-one
SMILESCc1ccccc1C1=CC(=O)CCC1
InChIInChI=1S/C13H14O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyZYDAFZGKBGVNBP-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.13
Rot. Bonds1

About 3-(2-methylphenyl)cyclohex-2-en-1-one

3-(2-methylphenyl)cyclohex-2-en-1-one (PubChem CID 53254684) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2-methylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)cyclohex-2-en-1-one
PubChem CID53254684
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-(2-methylphenyl)cyclohex-2-en-1-one
SMILESCc1ccccc1C1=CC(=O)CCC1
InChIInChI=1S/C13H14O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyZYDAFZGKBGVNBP-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-methylphenyl)cyclohex-2-en-1-one (CID 53254684) is 3-(2-methylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-methylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-methylphenyl)cyclohex-2-en-1-one is Cc1ccccc1C1=CC(=O)CCC1.
What is the InChIKey of 3-(2-methylphenyl)cyclohex-2-en-1-one?
The InChIKey is ZYDAFZGKBGVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 3-(2-methylphenyl)cyclohex-2-en-1-one?
3-(2-methylphenyl)cyclohex-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 53254684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).