2-(2-hydroxyphenyl)benzo[h]chromen-4-one

C19H12O3 — CID 676302

IUPAC2-(2-hydroxyphenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2ccccc2O)oc2c1ccc1ccccc12
InChIInChI=1S/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H
InChIKeyZKMLQDNHMSFULN-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.32
Rot. Bonds1

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

2-(2-hydroxyphenyl)benzo[h]chromen-4-one (PubChem CID 676302) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)benzo[h]chromen-4-one
PubChem CID676302
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name2-(2-hydroxyphenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2ccccc2O)oc2c1ccc1ccccc12
InChIInChI=1S/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H
InChIKeyZKMLQDNHMSFULN-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 2-(2-hydroxyphenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)benzo[h]chromen-4-one (CID 676302) is 2-(2-hydroxyphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)benzo[h]chromen-4-one is O=c1cc(-c2ccccc2O)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(2-hydroxyphenyl)benzo[h]chromen-4-one?
The InChIKey is ZKMLQDNHMSFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H.
What are the key properties of 2-(2-hydroxyphenyl)benzo[h]chromen-4-one?
2-(2-hydroxyphenyl)benzo[h]chromen-4-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-(2-hydroxyphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 676302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).