3,6,7-trihydroxy-2-phenylchromen-4-one

C15H10O5 — CID 141151974

IUPAC3,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)cc12
InChIInChI=1S/C15H10O5/c16-10-6-9-12(7-11(10)17)20-15(14(19)13(9)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKeyCIPSYTVGZURWPT-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.58
Rot. Bonds1

About 3,6,7-trihydroxy-2-phenylchromen-4-one

3,6,7-trihydroxy-2-phenylchromen-4-one (PubChem CID 141151974) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3,6,7-trihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,6,7-trihydroxy-2-phenylchromen-4-one
PubChem CID141151974
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name3,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)cc12
InChIInChI=1S/C15H10O5/c16-10-6-9-12(7-11(10)17)20-15(14(19)13(9)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKeyCIPSYTVGZURWPT-UHFFFAOYSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.58
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'}

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Related Compounds

3,6,7-trihydroxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 168891087
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
3-hydroxy-7-(4-methylpentan-2-yl)-2-phenylchromen-4-one
CID 167062860
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
3-(3-hydroxy-4-oxo-2-phenylchromen-6-yl)-3-methylbutanoic acid
CID 139983088
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trihydroxy-2-phenylchromen-4-one?
The IUPAC name of 3,6,7-trihydroxy-2-phenylchromen-4-one (CID 141151974) is 3,6,7-trihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,6,7-trihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 3,6,7-trihydroxy-2-phenylchromen-4-one is O=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)cc12.
What is the InChIKey of 3,6,7-trihydroxy-2-phenylchromen-4-one?
The InChIKey is CIPSYTVGZURWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-10-6-9-12(7-11(10)17)20-15(14(19)13(9)18)8-4-2-1-3-5-8/h1-7,16-17,19H.
What are the key properties of 3,6,7-trihydroxy-2-phenylchromen-4-one?
3,6,7-trihydroxy-2-phenylchromen-4-one has a molecular weight of 270.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 141151974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).