(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one

C13H14O2 — CID 102344411

IUPAC(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C13H14O2/c1-8-3-5-10(6-4-8)11-7-12(14)13(15)9(11)2/h3-6,11,15H,7H2,1-2H3/t11-/m0/s1
InChIKeyZNJPXHKUXCWVJT-NSHDSACASA-N
MW202.25 g/mol
LogP2.88
Rot. Bonds1

About (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one

(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one (PubChem CID 102344411) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one
PubChem CID102344411
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C13H14O2/c1-8-3-5-10(6-4-8)11-7-12(14)13(15)9(11)2/h3-6,11,15H,7H2,1-2H3/t11-/m0/s1
InChIKeyZNJPXHKUXCWVJT-NSHDSACASA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one?
The IUPAC name of (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one (CID 102344411) is (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one is CC1=C(O)C(=O)C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one?
The InChIKey is ZNJPXHKUXCWVJT-NSHDSACASA-N. The full InChI is InChI=1S/C13H14O2/c1-8-3-5-10(6-4-8)11-7-12(14)13(15)9(11)2/h3-6,11,15H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one?
(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 102344411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).