3-(4-fluorophenyl)-4-propoxybenzoic acid

C16H15FO3 — CID 134391719

IUPAC3-(4-fluorophenyl)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-2-9-20-15-8-5-12(16(18)19)10-14(15)11-3-6-13(17)7-4-11/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyGKHVHQHVJADJAM-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-fluorophenyl)-4-propoxybenzoic acid

3-(4-fluorophenyl)-4-propoxybenzoic acid (PubChem CID 134391719) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-propoxybenzoic acid
PubChem CID134391719
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-(4-fluorophenyl)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-2-9-20-15-8-5-12(16(18)19)10-14(15)11-3-6-13(17)7-4-11/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyGKHVHQHVJADJAM-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-4-propoxybenzoic 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

4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577
4-iodo-3-propoxybenzoic acid
CID 68960644
benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate
CID 134391717
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
4-(3-fluoro-4-heptoxyphenyl)benzoic acid
CID 54109245
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
CID 54340941
3-[3-fluoro-4-(2-iodoethoxy)phenyl]-4-methoxybenzoic acid
CID 148556940
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
3-fluoro-4-octoxybenzoic acid;hydrochloride
CID 70117838

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-propoxybenzoic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-propoxybenzoic acid (CID 134391719) is 3-(4-fluorophenyl)-4-propoxybenzoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-propoxybenzoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-propoxybenzoic acid?
The InChIKey is GKHVHQHVJADJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-2-9-20-15-8-5-12(16(18)19)10-14(15)11-3-6-13(17)7-4-11/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-4-propoxybenzoic acid?
3-(4-fluorophenyl)-4-propoxybenzoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-propoxybenzoic acid is sourced from PubChem (CID 134391719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).