4,8-dihydroxy-3-phenylchromen-2-one

C15H10O4 — CID 54721333

IUPAC4,8-dihydroxy-3-phenylchromen-2-one
SMILESO=c1oc2c(O)cccc2c(O)c1-c1ccccc1
InChIInChI=1S/C15H10O4/c16-11-8-4-7-10-13(17)12(15(18)19-14(10)11)9-5-2-1-3-6-9/h1-8,16-17H
InChIKeyNVOGDDBXRPTHRN-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds1

About 4,8-dihydroxy-3-phenylchromen-2-one

4,8-dihydroxy-3-phenylchromen-2-one (PubChem CID 54721333) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4,8-dihydroxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name4,8-dihydroxy-3-phenylchromen-2-one
PubChem CID54721333
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name4,8-dihydroxy-3-phenylchromen-2-one
SMILESO=c1oc2c(O)cccc2c(O)c1-c1ccccc1
InChIInChI=1S/C15H10O4/c16-11-8-4-7-10-13(17)12(15(18)19-14(10)11)9-5-2-1-3-6-9/h1-8,16-17H
InChIKeyNVOGDDBXRPTHRN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroxy-3-phenylchromen-2-one?
The IUPAC name of 4,8-dihydroxy-3-phenylchromen-2-one (CID 54721333) is 4,8-dihydroxy-3-phenylchromen-2-one.
What is the SMILES notation for 4,8-dihydroxy-3-phenylchromen-2-one?
The canonical SMILES for 4,8-dihydroxy-3-phenylchromen-2-one is O=c1oc2c(O)cccc2c(O)c1-c1ccccc1.
What is the InChIKey of 4,8-dihydroxy-3-phenylchromen-2-one?
The InChIKey is NVOGDDBXRPTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-11-8-4-7-10-13(17)12(15(18)19-14(10)11)9-5-2-1-3-6-9/h1-8,16-17H.
What are the key properties of 4,8-dihydroxy-3-phenylchromen-2-one?
4,8-dihydroxy-3-phenylchromen-2-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 4,8-dihydroxy-3-phenylchromen-2-one is sourced from PubChem (CID 54721333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).