4-(2-fluoro-5-methylphenyl)butanoic acid

C11H13FO2 — CID 83698985

IUPAC4-(2-fluoro-5-methylphenyl)butanoic acid
SMILESCc1ccc(F)c(CCCC(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyKVBVMEZJJDDTTQ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.54
Rot. Bonds4

About 4-(2-fluoro-5-methylphenyl)butanoic acid

4-(2-fluoro-5-methylphenyl)butanoic acid (PubChem CID 83698985) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)butanoic acid
PubChem CID83698985
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name4-(2-fluoro-5-methylphenyl)butanoic acid
SMILESCc1ccc(F)c(CCCC(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyKVBVMEZJJDDTTQ-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
4-[(2-fluoro-5-methylphenyl)methyl-methylamino]butanoic acid
CID 106835028
3-[(2-fluoro-5-methylphenyl)methyl-methylamino]propanoic acid
CID 106835027
4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
4-(2-fluoro-4-methyl-5-methylsulfanylphenyl)butanoic acid
CID 117357987
3-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 114055340
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(3-carboxypropyl)-2,5-difluorobenzoic acid
CID 117361861

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)butanoic acid?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)butanoic acid (CID 83698985) is 4-(2-fluoro-5-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)butanoic acid?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)butanoic acid is Cc1ccc(F)c(CCCC(=O)O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)butanoic acid?
The InChIKey is KVBVMEZJJDDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(2-fluoro-5-methylphenyl)butanoic acid?
4-(2-fluoro-5-methylphenyl)butanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)butanoic acid is sourced from PubChem (CID 83698985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).