3,6-dihydroxy-2-phenylchromen-4-one

C15H10O4 — CID 688659

IUPAC3,6-dihydroxy-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
InChIKeyXHLOLFKZCUCROE-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds1

About 3,6-dihydroxy-2-phenylchromen-4-one

3,6-dihydroxy-2-phenylchromen-4-one (PubChem CID 688659) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3,6-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,6-dihydroxy-2-phenylchromen-4-one
PubChem CID688659
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name3,6-dihydroxy-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
InChIKeyXHLOLFKZCUCROE-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 3,6-dihydroxy-2-phenylchromen-4-one (CID 688659) is 3,6-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,6-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 3,6-dihydroxy-2-phenylchromen-4-one is O=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12.
What is the InChIKey of 3,6-dihydroxy-2-phenylchromen-4-one?
The InChIKey is XHLOLFKZCUCROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H.
What are the key properties of 3,6-dihydroxy-2-phenylchromen-4-one?
3,6-dihydroxy-2-phenylchromen-4-one has a molecular weight of 254.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 688659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).