5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

C16H12O6 — CID 3084390

IUPAC5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O
InChIInChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChIKeyUWARRXZVZDFPQU-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (PubChem CID 3084390) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID3084390
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O
InChIInChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChIKeyUWARRXZVZDFPQU-UHFFFAOYSA-N
XLogP2.59
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-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

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
CID 130383696
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 11968946
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 172885210

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (CID 3084390) is 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O.
What is the InChIKey of 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The InChIKey is UWARRXZVZDFPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3.
What are the key properties of 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 3084390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).