(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one

C36H32O4 — CID 139079024

IUPAC(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O.CC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O
InChIInChI=1S/2C18H16O2/c2*1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2*2-11,20H,12H2,1H3/t2*18-/m11/s1
InChIKeyLOEOJTLILLQYHJ-BJRQBULFSA-N
MW528.65 g/mol
LogP6.64
Rot. Bonds4

About (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one

(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one (PubChem CID 139079024) has the molecular formula C36H32O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
PubChem CID139079024
Molecular FormulaC36H32O4
Molecular Weight528.65 g/mol
Exact Mass528.23
IUPAC Name(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O.CC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O
InChIInChI=1S/2C18H16O2/c2*1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2*2-11,20H,12H2,1H3/t2*18-/m11/s1
InChIKeyLOEOJTLILLQYHJ-BJRQBULFSA-N
XLogP6.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one (CID 139079024) is (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O.CC1=C(c2ccccc2)[C@](O)(c2ccccc2)CC1=O.
What is the InChIKey of (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The InChIKey is LOEOJTLILLQYHJ-BJRQBULFSA-N. The full InChI is InChI=1S/2C18H16O2/c2*1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2*2-11,20H,12H2,1H3/t2*18-/m11/s1.
What are the key properties of (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
(4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one has a molecular weight of 528.65 g/mol, XLogP of 6.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 139079024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).