4-hydroxy-3-phenylchromen-2-one

C15H10O3 — CID 54688870

IUPAC4-hydroxy-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1ccccc1
InChIInChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
InChIKeyCBHMYFPBBDCWSY-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.17
Rot. Bonds1

About 4-hydroxy-3-phenylchromen-2-one

4-hydroxy-3-phenylchromen-2-one (PubChem CID 54688870) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-hydroxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenylchromen-2-one
PubChem CID54688870
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name4-hydroxy-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1ccccc1
InChIInChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
InChIKeyCBHMYFPBBDCWSY-UHFFFAOYSA-N
XLogP3.17
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-3-phenylchromen-2-one?
The IUPAC name of 4-hydroxy-3-phenylchromen-2-one (CID 54688870) is 4-hydroxy-3-phenylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3-phenylchromen-2-one?
The canonical SMILES for 4-hydroxy-3-phenylchromen-2-one is O=c1oc2ccccc2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenylchromen-2-one?
The InChIKey is CBHMYFPBBDCWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H.
What are the key properties of 4-hydroxy-3-phenylchromen-2-one?
4-hydroxy-3-phenylchromen-2-one has a molecular weight of 238.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenylchromen-2-one is sourced from PubChem (CID 54688870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).