2-(4-hydroxyphenyl)benzo[f]chromen-3-one

C19H12O3 — CID 102366848

IUPAC2-(4-hydroxyphenyl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1-c1ccc(O)cc1
InChIInChI=1S/C19H12O3/c20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21/h1-11,20H
InChIKeySEQKUOTXTZHUTF-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.32
Rot. Bonds1

About 2-(4-hydroxyphenyl)benzo[f]chromen-3-one

2-(4-hydroxyphenyl)benzo[f]chromen-3-one (PubChem CID 102366848) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)benzo[f]chromen-3-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)benzo[f]chromen-3-one
PubChem CID102366848
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name2-(4-hydroxyphenyl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1-c1ccc(O)cc1
InChIInChI=1S/C19H12O3/c20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21/h1-11,20H
InChIKeySEQKUOTXTZHUTF-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-hydroxyphenyl)-6-(3-oxobenzo[f]chromen-2-yl)-2-pyridinyl]benzo[f]chromen-3-one
CID 155812709
2-(4-anthracen-9-ylphenyl)benzo[f]chromen-3-one
CID 102171378
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
CID 95401069
2-iodobenzo[f]chromen-3-one
CID 71734520
2-(5-acetyl-6-oxopyran-2-yl)benzo[f]chromen-3-one
CID 71770111
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzo[f]chromen-3-one
CID 20904250
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
2-(1H-benzimidazol-3-ium-2-yl)benzo[f]chromen-3-one
CID 2054739
3-(4-hydroxyphenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3655984

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)benzo[f]chromen-3-one?
The IUPAC name of 2-(4-hydroxyphenyl)benzo[f]chromen-3-one (CID 102366848) is 2-(4-hydroxyphenyl)benzo[f]chromen-3-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)benzo[f]chromen-3-one?
The canonical SMILES for 2-(4-hydroxyphenyl)benzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2cc1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)benzo[f]chromen-3-one?
The InChIKey is SEQKUOTXTZHUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21/h1-11,20H.
What are the key properties of 2-(4-hydroxyphenyl)benzo[f]chromen-3-one?
2-(4-hydroxyphenyl)benzo[f]chromen-3-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 2-(4-hydroxyphenyl)benzo[f]chromen-3-one is sourced from PubChem (CID 102366848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).