(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one

C18H16O3 — CID 101115951

IUPAC(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
SMILESCOC1=C(c2ccccc2)C(=O)[C@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H16O3/c1-21-18-14(12-8-4-2-5-9-12)16(19)17(20)15(18)13-10-6-3-7-11-13/h2-11,14,16,19H,1H3/t14-,16+/m0/s1
InChIKeyBEMHSZUOGGDDLQ-GOEBONIOSA-N
MW280.32 g/mol
LogP2.77
Rot. Bonds3

About (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one

(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one (PubChem CID 101115951) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
PubChem CID101115951
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
SMILESCOC1=C(c2ccccc2)C(=O)[C@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H16O3/c1-21-18-14(12-8-4-2-5-9-12)16(19)17(20)15(18)13-10-6-3-7-11-13/h2-11,14,16,19H,1H3/t14-,16+/m0/s1
InChIKeyBEMHSZUOGGDDLQ-GOEBONIOSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
2-(4-methoxyphenyl)-4-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10267266
4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-2-(4-phenylphenyl)cyclobut-2-en-1-one
CID 132526198
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
CID 170551049
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135016631
4-methoxy-1,1-dioxo-2,5-diphenylthiophen-3-one
CID 12570198
(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one
CID 134119629
(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 14068206
4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
CID 14226957
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one (CID 101115951) is (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one is COC1=C(c2ccccc2)C(=O)[C@H](O)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one?
The InChIKey is BEMHSZUOGGDDLQ-GOEBONIOSA-N. The full InChI is InChI=1S/C18H16O3/c1-21-18-14(12-8-4-2-5-9-12)16(19)17(20)15(18)13-10-6-3-7-11-13/h2-11,14,16,19H,1H3/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one?
(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one has a molecular weight of 280.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 101115951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).