5-(3-fluoro-4-methylphenyl)pentanoic acid

C12H15FO2 — CID 169495010

IUPAC5-(3-fluoro-4-methylphenyl)pentanoic acid
SMILESCc1ccc(CCCCC(=O)O)cc1F
InChIInChI=1S/C12H15FO2/c1-9-6-7-10(8-11(9)13)4-2-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeySINHDVLXIGVLCG-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.93
Rot. Bonds5

About 5-(3-fluoro-4-methylphenyl)pentanoic acid

5-(3-fluoro-4-methylphenyl)pentanoic acid (PubChem CID 169495010) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)pentanoic acid
PubChem CID169495010
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name5-(3-fluoro-4-methylphenyl)pentanoic acid
SMILESCc1ccc(CCCCC(=O)O)cc1F
InChIInChI=1S/C12H15FO2/c1-9-6-7-10(8-11(9)13)4-2-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeySINHDVLXIGVLCG-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469
1-chloro-4-(3-fluoro-4-methylphenyl)butan-2-one
CID 134085975
8-(3,5-difluoro-4-hydroxyphenyl)octanoic acid
CID 70316080
6-(4-fluorophenyl)hexanoic acid
CID 14739735
10-(4-methylphenyl)decanoic acid
CID 54262490
13-(3-hydroxy-4-methylphenyl)-10-oxotridecanoic acid
CID 158929956
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
5-[4-[5-(3,5-difluorophenyl)-6-(3,4-dimethylphenyl)hexyl]phenyl]pentanoic acid
CID 157410806
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)pentanoic acid?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)pentanoic acid (CID 169495010) is 5-(3-fluoro-4-methylphenyl)pentanoic acid.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)pentanoic acid?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)pentanoic acid is Cc1ccc(CCCCC(=O)O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)pentanoic acid?
The InChIKey is SINHDVLXIGVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-6-7-10(8-11(9)13)4-2-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-(3-fluoro-4-methylphenyl)pentanoic acid?
5-(3-fluoro-4-methylphenyl)pentanoic acid has a molecular weight of 210.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)pentanoic acid is sourced from PubChem (CID 169495010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).