3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane

C25H50O5 — CID 157253645

IUPAC3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C15H10O5.10CH4/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15;;;;;;;;;;/h1-7,16-17,19H;10*1H4
InChIKeyAWPXMZLJGZDAQD-UHFFFAOYSA-N
MW430.67 g/mol
LogP8.94
Rot. Bonds1

About 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane

3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane (PubChem CID 157253645) has the molecular formula C25H50O5 and a molecular weight of 430.67 g/mol. Its IUPAC name is 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane.

Molecular Properties

Compound Name3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
PubChem CID157253645
Molecular FormulaC25H50O5
Molecular Weight430.67 g/mol
Exact Mass430.37
IUPAC Name3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C15H10O5.10CH4/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15;;;;;;;;;;/h1-7,16-17,19H;10*1H4
InChIKeyAWPXMZLJGZDAQD-UHFFFAOYSA-N
XLogP8.94
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 58.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane 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

3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437
3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
CID 24825781
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
CID 137100206
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane?
The IUPAC name of 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane (CID 157253645) is 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane.
What is the SMILES notation for 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane?
The canonical SMILES for 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane is C.C.C.C.C.C.C.C.C.C.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12.
What is the InChIKey of 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane?
The InChIKey is AWPXMZLJGZDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.10CH4/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15;;;;;;;;;;/h1-7,16-17,19H;10*1H4.
What are the key properties of 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane?
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane has a molecular weight of 430.67 g/mol, XLogP of 8.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane is sourced from PubChem (CID 157253645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).