4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid

C23H19FO3 — CID 143291728

IUPAC4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid
SMILESO=C(c1ccccc1)c1ccc(C(=O)O)c(CCCc2ccc(F)cc2)c1
InChIInChI=1S/C23H19FO3/c24-20-12-9-16(10-13-20)5-4-8-18-15-19(11-14-21(18)23(26)27)22(25)17-6-2-1-3-7-17/h1-3,6-7,9-15H,4-5,8H2,(H,26,27)
InChIKeyRFQBEJWCMXZIID-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.93
Rot. Bonds7

About 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid

4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid (PubChem CID 143291728) has the molecular formula C23H19FO3 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid.

Molecular Properties

Compound Name4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid
PubChem CID143291728
Molecular FormulaC23H19FO3
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid
SMILESO=C(c1ccccc1)c1ccc(C(=O)O)c(CCCc2ccc(F)cc2)c1
InChIInChI=1S/C23H19FO3/c24-20-12-9-16(10-13-20)5-4-8-18-15-19(11-14-21(18)23(26)27)22(25)17-6-2-1-3-7-17/h1-3,6-7,9-15H,4-5,8H2,(H,26,27)
InChIKeyRFQBEJWCMXZIID-UHFFFAOYSA-N
XLogP4.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
4-[4-[2-[4-(3,4-dicarboxybenzoyl)phenyl]ethyl]benzoyl]phthalic acid
CID 54555161
4-(4-fluorophenyl)-2-[3-(6-hydroxynaphthalen-2-yl)propyl]benzoic acid
CID 67336352
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
2-[5-(4-benzoylphenyl)pentoxy]-1,3-diphenylpropane-1,3-dione
CID 175330596
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid?
The IUPAC name of 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid (CID 143291728) is 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid.
What is the SMILES notation for 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid?
The canonical SMILES for 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid is O=C(c1ccccc1)c1ccc(C(=O)O)c(CCCc2ccc(F)cc2)c1.
What is the InChIKey of 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid?
The InChIKey is RFQBEJWCMXZIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO3/c24-20-12-9-16(10-13-20)5-4-8-18-15-19(11-14-21(18)23(26)27)22(25)17-6-2-1-3-7-17/h1-3,6-7,9-15H,4-5,8H2,(H,26,27).
What are the key properties of 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid?
4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid has a molecular weight of 362.40 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-[3-(4-fluorophenyl)propyl]benzoic acid is sourced from PubChem (CID 143291728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).