2-(3-fluorophenyl)benzo[h]chromen-4-one

C19H11FO2 — CID 11471812

IUPAC2-(3-fluorophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H11FO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
InChIKeyPJCRQJRMDLDKLR-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.75
Rot. Bonds1

About 2-(3-fluorophenyl)benzo[h]chromen-4-one

2-(3-fluorophenyl)benzo[h]chromen-4-one (PubChem CID 11471812) has the molecular formula C19H11FO2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)benzo[h]chromen-4-one
PubChem CID11471812
Molecular FormulaC19H11FO2
Molecular Weight290.29 g/mol
Exact Mass290.07
IUPAC Name2-(3-fluorophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H11FO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
InChIKeyPJCRQJRMDLDKLR-UHFFFAOYSA-N
XLogP4.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.75
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-(3-fluorophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-fluorophenyl)benzo[h]chromen-4-one (CID 11471812) is 2-(3-fluorophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-fluorophenyl)benzo[h]chromen-4-one is O=c1cc(-c2cccc(F)c2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3-fluorophenyl)benzo[h]chromen-4-one?
The InChIKey is PJCRQJRMDLDKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H.
What are the key properties of 2-(3-fluorophenyl)benzo[h]chromen-4-one?
2-(3-fluorophenyl)benzo[h]chromen-4-one has a molecular weight of 290.29 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 11471812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).