3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C20H20O7 — CID 78088743

IUPAC3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCC(=CCOc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=O)CO
InChIInChI=1S/C20H20O7/c1-11(10-21)6-7-26-14-8-15(23)17-16(9-14)27-20(19(25)18(17)24)12-2-4-13(22)5-3-12/h2-6,8-9,19-23,25H,7,10H2,1H3
InChIKeyMSWOYPGTQZJKQY-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.09
Rot. Bonds5

About 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 78088743) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID78088743
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCC(=CCOc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=O)CO
InChIInChI=1S/C20H20O7/c1-11(10-21)6-7-26-14-8-15(23)17-16(9-14)27-20(19(25)18(17)24)12-2-4-13(22)5-3-12/h2-6,8-9,19-23,25H,7,10H2,1H3
InChIKeyMSWOYPGTQZJKQY-UHFFFAOYSA-N
XLogP2.09
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-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

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 14540008
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162984112
(2R,3R)-3,5-dihydroxy-2-[4-(hydroxymethyl)phenyl]-7-methyl-2,3-dihydrochromen-4-one
CID 163633456
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
CID 44575071
(2S,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 162934558
(2R,3R)-2-[5-ethoxy-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 53241146
8-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162917893
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 166704137

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 78088743) is 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is CC(=CCOc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=O)CO.
What is the InChIKey of 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MSWOYPGTQZJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-11(10-21)6-7-26-14-8-15(23)17-16(9-14)27-20(19(25)18(17)24)12-2-4-13(22)5-3-12/h2-6,8-9,19-23,25H,7,10H2,1H3.
What are the key properties of 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 372.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 78088743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).