(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one

C22H20O4 — CID 139053061

IUPAC(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one
SMILESCOC1=C(c2ccccc2)C(=O)[C@@](O)(CC(C)=O)C(c2ccccc2)=C1
InChIInChI=1S/C22H20O4/c1-15(23)14-22(25)18(16-9-5-3-6-10-16)13-19(26-2)20(21(22)24)17-11-7-4-8-12-17/h3-13,25H,14H2,1-2H3/t22-/m1/s1
InChIKeyHLMIOVVAXKAAMF-JOCHJYFZSA-N
MW348.40 g/mol
LogP3.42
Rot. Bonds5

About (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one

(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one (PubChem CID 139053061) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one
PubChem CID139053061
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one
SMILESCOC1=C(c2ccccc2)C(=O)[C@@](O)(CC(C)=O)C(c2ccccc2)=C1
InChIInChI=1S/C22H20O4/c1-15(23)14-22(25)18(16-9-5-3-6-10-16)13-19(26-2)20(21(22)24)17-11-7-4-8-12-17/h3-13,25H,14H2,1-2H3/t22-/m1/s1
InChIKeyHLMIOVVAXKAAMF-JOCHJYFZSA-N
XLogP3.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one?
The IUPAC name of (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one (CID 139053061) is (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one?
The canonical SMILES for (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one is COC1=C(c2ccccc2)C(=O)[C@@](O)(CC(C)=O)C(c2ccccc2)=C1.
What is the InChIKey of (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one?
The InChIKey is HLMIOVVAXKAAMF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20O4/c1-15(23)14-22(25)18(16-9-5-3-6-10-16)13-19(26-2)20(21(22)24)17-11-7-4-8-12-17/h3-13,25H,14H2,1-2H3/t22-/m1/s1.
What are the key properties of (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one?
(6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one has a molecular weight of 348.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-3-methoxy-6-(2-oxopropyl)-2,5-diphenylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 139053061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).