2,4-dimethyl-3-phenylcyclopent-2-en-1-one

C13H14O — CID 14758486

IUPAC2,4-dimethyl-3-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(C)CC1=O
InChIInChI=1S/C13H14O/c1-9-8-12(14)10(2)13(9)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyBCDQMZIYRWXSKB-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.07
Rot. Bonds1

About 2,4-dimethyl-3-phenylcyclopent-2-en-1-one

2,4-dimethyl-3-phenylcyclopent-2-en-1-one (PubChem CID 14758486) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,4-dimethyl-3-phenylcyclopent-2-en-1-one
PubChem CID14758486
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2,4-dimethyl-3-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(C)CC1=O
InChIInChI=1S/C13H14O/c1-9-8-12(14)10(2)13(9)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyBCDQMZIYRWXSKB-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 2,4-dimethyl-3-phenylcyclopent-2-en-1-one (CID 14758486) is 2,4-dimethyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2,4-dimethyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2,4-dimethyl-3-phenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)C(C)CC1=O.
What is the InChIKey of 2,4-dimethyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is BCDQMZIYRWXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-8-12(14)10(2)13(9)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-phenylcyclopent-2-en-1-one?
2,4-dimethyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 14758486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).