(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one

C13H14O2 — CID 101198630

IUPAC(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(c2ccccc2C)C(=O)C1
InChIInChI=1S/C13H14O2/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyOILCPMUJJFTUFG-SNVBAGLBSA-N
MW202.25 g/mol
LogP2.37
Rot. Bonds2

About (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one

(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one (PubChem CID 101198630) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
PubChem CID101198630
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(c2ccccc2C)C(=O)C1
InChIInChI=1S/C13H14O2/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyOILCPMUJJFTUFG-SNVBAGLBSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one (CID 101198630) is (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one is CO[C@@H]1C=C(c2ccccc2C)C(=O)C1.
What is the InChIKey of (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one?
The InChIKey is OILCPMUJJFTUFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one?
(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 101198630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).