(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one

C13H14O2 — CID 14068206

IUPAC(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
SMILESCOC1=CC(=O)[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H14O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-9,13H,1-2H3/t9-,13-/m0/s1
InChIKeyMDYGKQDEFPNSFZ-ZANVPECISA-N
MW202.25 g/mol
LogP2.52
Rot. Bonds2

About (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one

(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one (PubChem CID 14068206) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
PubChem CID14068206
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
SMILESCOC1=CC(=O)[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H14O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-9,13H,1-2H3/t9-,13-/m0/s1
InChIKeyMDYGKQDEFPNSFZ-ZANVPECISA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
(4R,5R)-4-hydroxy-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130912072
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one
CID 10977291
dimethyl (3aR,4R,7aS)-7-methyl-5-oxo-4-phenyl-3,3a,4,7a-tetrahydro-1H-indene-2,2-dicarboxylate
CID 102314109
(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
CID 101115951
(4R,4aR,5S)-4-methyl-5-phenyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyran-6-one
CID 10680866
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
CID 170551049
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one (CID 14068206) is (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one is COC1=CC(=O)[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The InChIKey is MDYGKQDEFPNSFZ-ZANVPECISA-N. The full InChI is InChI=1S/C13H14O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-9,13H,1-2H3/t9-,13-/m0/s1.
What are the key properties of (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one?
(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 14068206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).