2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one

C19H12O5 — CID 135053109

IUPAC2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc3ccccc3c(O)c12
InChIInChI=1S/C19H12O5/c20-13-6-5-11(7-14(13)21)16-9-15(22)18-17(24-16)8-10-3-1-2-4-12(10)19(18)23/h1-9,20-21,23H
InChIKeyPTVRHXRPVBTIRQ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.73
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one (PubChem CID 135053109) has the molecular formula C19H12O5 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
PubChem CID135053109
Molecular FormulaC19H12O5
Molecular Weight320.30 g/mol
Exact Mass320.07
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc3ccccc3c(O)c12
InChIInChI=1S/C19H12O5/c20-13-6-5-11(7-14(13)21)16-9-15(22)18-17(24-16)8-10-3-1-2-4-12(10)19(18)23/h1-9,20-21,23H
InChIKeyPTVRHXRPVBTIRQ-UHFFFAOYSA-N
XLogP3.73
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[6-[6-[2,3-dihydroxy-6-(4-oxochromen-2-yl)phenyl]-5,7-dihydroxy-4-oxochromen-2-yl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 171431160
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one
CID 5321948
8-[2,3-dihydroxy-6-(4-oxochromen-2-yl)phenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 171431176
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 162911312
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
CID 172994187
6-[6-[6-[2,3-dihydroxy-6-(7-hydroxy-4-oxochromen-2-yl)phenyl]-5,7-dihydroxy-4-oxochromen-2-yl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 171431187
(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one
CID 162864069
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one (CID 135053109) is 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one is O=c1cc(-c2ccc(O)c(O)c2)oc2cc3ccccc3c(O)c12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one?
The InChIKey is PTVRHXRPVBTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O5/c20-13-6-5-11(7-14(13)21)16-9-15(22)18-17(24-16)8-10-3-1-2-4-12(10)19(18)23/h1-9,20-21,23H.
What are the key properties of 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one?
2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one has a molecular weight of 320.30 g/mol, XLogP of 3.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one is sourced from PubChem (CID 135053109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).