2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one

C25H15FO2 — CID 71376512

IUPAC2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccccc2F)oc2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C25H15FO2/c26-22-13-7-6-12-19(22)24-15-23(27)21-14-20(16-8-2-1-3-9-16)17-10-4-5-11-18(17)25(21)28-24/h1-15H
InChIKeyBYQVRRWJZSZQLJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP6.42
Rot. Bonds2

About 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one

2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one (PubChem CID 71376512) has the molecular formula C25H15FO2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one
PubChem CID71376512
Molecular FormulaC25H15FO2
Molecular Weight366.39 g/mol
Exact Mass366.11
IUPAC Name2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccccc2F)oc2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C25H15FO2/c26-22-13-7-6-12-19(22)24-15-23(27)21-14-20(16-8-2-1-3-9-16)17-10-4-5-11-18(17)25(21)28-24/h1-15H
InChIKeyBYQVRRWJZSZQLJ-UHFFFAOYSA-N
XLogP6.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorophenyl)-6-phenylbenzo[h]chromen-4-one?
The IUPAC name of 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one (CID 71376512) is 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one is O=c1cc(-c2ccccc2F)oc2c1cc(-c1ccccc1)c1ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one?
The InChIKey is BYQVRRWJZSZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FO2/c26-22-13-7-6-12-19(22)24-15-23(27)21-14-20(16-8-2-1-3-9-16)17-10-4-5-11-18(17)25(21)28-24/h1-15H.
What are the key properties of 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one?
2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one has a molecular weight of 366.39 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one is sourced from PubChem (CID 71376512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).