4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid

C12H15FO3 — CID 83892522

IUPAC4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1c(F)cc(C)cc1CCCC(=O)O
InChIInChI=1S/C12H15FO3/c1-8-6-9(4-3-5-11(14)15)12(16-2)10(13)7-8/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyQCWNOEXBCXTHRG-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.55
Rot. Bonds5

About 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid

4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid (PubChem CID 83892522) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
PubChem CID83892522
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1c(F)cc(C)cc1CCCC(=O)O
InChIInChI=1S/C12H15FO3/c1-8-6-9(4-3-5-11(14)15)12(16-2)10(13)7-8/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyQCWNOEXBCXTHRG-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
CID 117389136
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
4-(3-chloro-4-fluoro-2-methoxyphenyl)butanoic acid
CID 117369147
4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117428637
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117362075
3-(3-carboxypropyl)-4,5-dimethoxybenzoic acid
CID 117424082
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
CID 117424486
3-(5-chlorosulfonyl-3-fluoro-2-methoxyphenyl)propanoic acid
CID 166000122

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid?
The IUPAC name of 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid (CID 83892522) is 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid?
The canonical SMILES for 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid is COc1c(F)cc(C)cc1CCCC(=O)O.
What is the InChIKey of 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid?
The InChIKey is QCWNOEXBCXTHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8-6-9(4-3-5-11(14)15)12(16-2)10(13)7-8/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid?
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid is sourced from PubChem (CID 83892522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).