4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid

C17H17FO3 — CID 67208829

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
SMILESCOc1ccc(F)cc1-c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C17H17FO3/c1-21-16-10-9-14(18)11-15(16)13-7-5-12(6-8-13)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyMNHYGARNJHEONI-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.91
Rot. Bonds6

About 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid

4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid (PubChem CID 67208829) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
PubChem CID67208829
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
SMILESCOc1ccc(F)cc1-c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C17H17FO3/c1-21-16-10-9-14(18)11-15(16)13-7-5-12(6-8-13)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyMNHYGARNJHEONI-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208775
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
(E)-3-[4-(5-fluoro-2-methoxyphenyl)phenyl]pent-2-enoic acid
CID 82543867
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
CID 110248554
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
6-(4-fluorophenyl)hexanoic acid
CID 14739735

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid (CID 67208829) is 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid is COc1ccc(F)cc1-c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid?
The InChIKey is MNHYGARNJHEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-21-16-10-9-14(18)11-15(16)13-7-5-12(6-8-13)3-2-4-17(19)20/h5-11H,2-4H2,1H3,(H,19,20).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid?
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid is sourced from PubChem (CID 67208829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).