3-(2-hydroxyphenyl)benzo[f]chromen-1-one

C19H12O3 — CID 676304

IUPAC3-(2-hydroxyphenyl)benzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccc2O)oc2ccc3ccccc3c12
InChIInChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H
InChIKeyQEXQTLSRHJGDRC-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.32
Rot. Bonds1

About 3-(2-hydroxyphenyl)benzo[f]chromen-1-one

3-(2-hydroxyphenyl)benzo[f]chromen-1-one (PubChem CID 676304) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)benzo[f]chromen-1-one
PubChem CID676304
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name3-(2-hydroxyphenyl)benzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccc2O)oc2ccc3ccccc3c12
InChIInChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H
InChIKeyQEXQTLSRHJGDRC-UHFFFAOYSA-N
XLogP4.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)benzo[f]chromen-1-one (CID 676304) is 3-(2-hydroxyphenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)benzo[f]chromen-1-one is O=c1cc(-c2ccccc2O)oc2ccc3ccccc3c12.
What is the InChIKey of 3-(2-hydroxyphenyl)benzo[f]chromen-1-one?
The InChIKey is QEXQTLSRHJGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H.
What are the key properties of 3-(2-hydroxyphenyl)benzo[f]chromen-1-one?
3-(2-hydroxyphenyl)benzo[f]chromen-1-one has a molecular weight of 288.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 676304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).