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

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Related Compounds

3-(2,5-dimethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 3975103
(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 42628199
3-hydroxy-5-(3-methoxyphenyl)cyclohex-2-en-1-one;hydrate
CID 170922658
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
CID 139074788
methyl 2-[(5S)-3-oxo-5-phenylcyclohexen-1-yl]acetate
CID 129404051
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
CID 11198540
methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430

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).