4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid

C16H14F2O3 — CID 143190556

IUPAC4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2cc(C(=O)O)ccc2F)cc1F
InChIInChI=1S/C16H14F2O3/c1-2-7-21-15-6-4-10(9-14(15)18)12-8-11(16(19)20)3-5-13(12)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyHVXMLQODZJCDHS-UHFFFAOYSA-N
MW292.28 g/mol
LogP4.12
Rot. Bonds5

About 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid

4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid (PubChem CID 143190556) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
PubChem CID143190556
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2cc(C(=O)O)ccc2F)cc1F
InChIInChI=1S/C16H14F2O3/c1-2-7-21-15-6-4-10(9-14(15)18)12-8-11(16(19)20)3-5-13(12)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyHVXMLQODZJCDHS-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[3-fluoro-4-(2-iodoethoxy)phenyl]benzoic acid
CID 163874760
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
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
3-fluoro-4-octoxybenzoic acid;hydrochloride
CID 70117838
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid (CID 143190556) is 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid is CCCOc1ccc(-c2cc(C(=O)O)ccc2F)cc1F.
What is the InChIKey of 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid?
The InChIKey is HVXMLQODZJCDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-2-7-21-15-6-4-10(9-14(15)18)12-8-11(16(19)20)3-5-13(12)17/h3-6,8-9H,2,7H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid?
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid has a molecular weight of 292.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid is sourced from PubChem (CID 143190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).