3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one

C20H20O4 — CID 13129301

IUPAC3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESCOc1cc(O)c(C2=CC(=O)CC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H20O4/c1-23-17-11-18(22)20(19(12-17)24-2)15-8-14(9-16(21)10-15)13-6-4-3-5-7-13/h3-7,10-12,14,22H,8-9H2,1-2H3
InChIKeyWEBXWHPPNNCMKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.94
Rot. Bonds4

About 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one

3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one (PubChem CID 13129301) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one
PubChem CID13129301
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESCOc1cc(O)c(C2=CC(=O)CC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H20O4/c1-23-17-11-18(22)20(19(12-17)24-2)15-8-14(9-16(21)10-15)13-6-4-3-5-7-13/h3-7,10-12,14,22H,8-9H2,1-2H3
InChIKeyWEBXWHPPNNCMKR-UHFFFAOYSA-N
XLogP3.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-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 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one (CID 13129301) is 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one is COc1cc(O)c(C2=CC(=O)CC(c3ccccc3)C2)c(OC)c1.
What is the InChIKey of 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The InChIKey is WEBXWHPPNNCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-23-17-11-18(22)20(19(12-17)24-2)15-8-14(9-16(21)10-15)13-6-4-3-5-7-13/h3-7,10-12,14,22H,8-9H2,1-2H3.
What are the key properties of 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one?
3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 13129301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).