2-(3,4-dihydroxyphenyl)chromen-7-one

C15H10O4 — CID 15517839

IUPAC2-(3,4-dihydroxyphenyl)chromen-7-one
SMILESO=c1ccc2ccc(-c3ccc(O)c(O)c3)oc-2c1
InChIInChI=1S/C15H10O4/c16-11-4-1-9-3-6-14(19-15(9)8-11)10-2-5-12(17)13(18)7-10/h1-8,17-18H
InChIKeyPORSUXNBDMJHCP-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.82
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)chromen-7-one

2-(3,4-dihydroxyphenyl)chromen-7-one (PubChem CID 15517839) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)chromen-7-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)chromen-7-one
PubChem CID15517839
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name2-(3,4-dihydroxyphenyl)chromen-7-one
SMILESO=c1ccc2ccc(-c3ccc(O)c(O)c3)oc-2c1
InChIInChI=1S/C15H10O4/c16-11-4-1-9-3-6-14(19-15(9)8-11)10-2-5-12(17)13(18)7-10/h1-8,17-18H
InChIKeyPORSUXNBDMJHCP-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride
CID 138397548
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one
CID 5321948
[hydroxy(methoxy)methylidene]-[4-(7-oxochromen-2-yl)phenyl]azanium chloride
CID 137175985
8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 163090228
4-(5-hexylfuran-2-yl)benzene-1,2-diol
CID 24871715
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
CID 44610309
2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
CID 135053109
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl] 2-methylpropanoate
CID 44610153
4-[2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-yl]benzene-1,2-diol
CID 70799802

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)chromen-7-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)chromen-7-one (CID 15517839) is 2-(3,4-dihydroxyphenyl)chromen-7-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)chromen-7-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)chromen-7-one is O=c1ccc2ccc(-c3ccc(O)c(O)c3)oc-2c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)chromen-7-one?
The InChIKey is PORSUXNBDMJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-11-4-1-9-3-6-14(19-15(9)8-11)10-2-5-12(17)13(18)7-10/h1-8,17-18H.
What are the key properties of 2-(3,4-dihydroxyphenyl)chromen-7-one?
2-(3,4-dihydroxyphenyl)chromen-7-one has a molecular weight of 254.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)chromen-7-one is sourced from PubChem (CID 15517839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).