5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one

C22H22O6 — CID 141471053

IUPAC5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one
SMILESC=C(C)CCc1c(OC)cc(O)c2c(=O)cc(-c3ccc(O)cc3OC)oc12
InChIInChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h6,8-11,23-24H,1,5,7H2,2-4H3
InChIKeyPEBNWUHOABDBBH-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.40
Rot. Bonds6

About 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one

5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one (PubChem CID 141471053) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one
PubChem CID141471053
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one
SMILESC=C(C)CCc1c(OC)cc(O)c2c(=O)cc(-c3ccc(O)cc3OC)oc12
InChIInChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h6,8-11,23-24H,1,5,7H2,2-4H3
InChIKeyPEBNWUHOABDBBH-UHFFFAOYSA-N
XLogP4.40
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxychromen-4-one
CID 162984542
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbutyl)chromen-4-one
CID 15541483
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
CID 18546454
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 14583620
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one (CID 141471053) is 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one is C=C(C)CCc1c(OC)cc(O)c2c(=O)cc(-c3ccc(O)cc3OC)oc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one?
The InChIKey is PEBNWUHOABDBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h6,8-11,23-24H,1,5,7H2,2-4H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one?
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one has a molecular weight of 382.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one is sourced from PubChem (CID 141471053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).