5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one

C20H18O4 — CID 5281903

IUPAC5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
InChIKeyWVBTWALEDCJRKA-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.38
Rot. Bonds3

About 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one (PubChem CID 5281903) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
PubChem CID5281903
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
InChIKeyWVBTWALEDCJRKA-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-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

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 139750917
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 59152467
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
6,7-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2-phenylchromen-4-one
CID 53305787
1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
CID 123280234
7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
CID 142673083

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one (CID 5281903) is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one is CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one?
The InChIKey is WVBTWALEDCJRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3.
What are the key properties of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one?
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one has a molecular weight of 322.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one is sourced from PubChem (CID 5281903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).