3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid

C17H17FO3 — CID 82543265

IUPAC3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
SMILESCOc1ccc(C(C)CC(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C17H17FO3/c1-11(9-17(19)20)12-7-8-16(21-2)14(10-12)13-5-3-4-6-15(13)18/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyZNIKDWMVSADNHS-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.08
Rot. Bonds5

About 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid

3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid (PubChem CID 82543265) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
PubChem CID82543265
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
SMILESCOc1ccc(C(C)CC(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C17H17FO3/c1-11(9-17(19)20)12-7-8-16(21-2)14(10-12)13-5-3-4-6-15(13)18/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyZNIKDWMVSADNHS-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
CID 82543264
3-(3-bromo-4-methoxyphenyl)butanoic acid
CID 82049975
3-[4-fluoro-3-(2,3,4-trifluorophenyl)phenyl]butanoic acid
CID 110447449
3-[4-(2-fluorophenoxy)phenyl]butanoic acid
CID 82306805
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
CID 82543299
(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
CID 135366641
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-(6-fluoro-3-methoxy-2-methylphenyl)butanoic acid
CID 84690415
3-[4-chloro-3-(2-methylphenyl)phenyl]butanoic acid
CID 82543323
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid?
The IUPAC name of 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid (CID 82543265) is 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid?
The canonical SMILES for 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid is COc1ccc(C(C)CC(=O)O)cc1-c1ccccc1F.
What is the InChIKey of 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid?
The InChIKey is ZNIKDWMVSADNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11(9-17(19)20)12-7-8-16(21-2)14(10-12)13-5-3-4-6-15(13)18/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid?
3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid has a molecular weight of 288.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid is sourced from PubChem (CID 82543265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).