3-(4-fluorobenzoyl)-7-methylchromen-4-one

C17H11FO3 — CID 775952

IUPAC3-(4-fluorobenzoyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)coc2c1
InChIInChI=1S/C17H11FO3/c1-10-2-7-13-15(8-10)21-9-14(17(13)20)16(19)11-3-5-12(18)6-4-11/h2-9H,1H3
InChIKeySBJSFAHAQIXROH-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.47
Rot. Bonds2

About 3-(4-fluorobenzoyl)-7-methylchromen-4-one

3-(4-fluorobenzoyl)-7-methylchromen-4-one (PubChem CID 775952) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-7-methylchromen-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-7-methylchromen-4-one
PubChem CID775952
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name3-(4-fluorobenzoyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)coc2c1
InChIInChI=1S/C17H11FO3/c1-10-2-7-13-15(8-10)21-9-14(17(13)20)16(19)11-3-5-12(18)6-4-11/h2-9H,1H3
InChIKeySBJSFAHAQIXROH-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorobenzoyl)-7-methylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-7-methylchromen-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-7-methylchromen-4-one (CID 775952) is 3-(4-fluorobenzoyl)-7-methylchromen-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-7-methylchromen-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-7-methylchromen-4-one is Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)coc2c1.
What is the InChIKey of 3-(4-fluorobenzoyl)-7-methylchromen-4-one?
The InChIKey is SBJSFAHAQIXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c1-10-2-7-13-15(8-10)21-9-14(17(13)20)16(19)11-3-5-12(18)6-4-11/h2-9H,1H3.
What are the key properties of 3-(4-fluorobenzoyl)-7-methylchromen-4-one?
3-(4-fluorobenzoyl)-7-methylchromen-4-one has a molecular weight of 282.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-7-methylchromen-4-one is sourced from PubChem (CID 775952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).