4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid

C11H12ClFO4 — CID 117411352

IUPAC4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
SMILESCOc1cc(F)c(Cl)c(CCCC(=O)O)c1O
InChIInChI=1S/C11H12ClFO4/c1-17-8-5-7(13)10(12)6(11(8)16)3-2-4-9(14)15/h5,16H,2-4H2,1H3,(H,14,15)
InChIKeyHOYGQLYGNONKTD-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.60
Rot. Bonds5

About 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid

4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid (PubChem CID 117411352) has the molecular formula C11H12ClFO4 and a molecular weight of 262.66 g/mol. Its IUPAC name is 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
PubChem CID117411352
Molecular FormulaC11H12ClFO4
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
SMILESCOc1cc(F)c(Cl)c(CCCC(=O)O)c1O
InChIInChI=1S/C11H12ClFO4/c1-17-8-5-7(13)10(12)6(11(8)16)3-2-4-9(14)15/h5,16H,2-4H2,1H3,(H,14,15)
InChIKeyHOYGQLYGNONKTD-UHFFFAOYSA-N
XLogP2.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)butanoic acid
CID 117400546
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)butanoic acid
CID 117434529
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
4-(4-chloro-2,6-difluorophenyl)butanoic acid
CID 117341296
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
4-(3-chloro-4-fluoro-2-methoxyphenyl)butanoic acid
CID 117369147
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid?
The IUPAC name of 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid (CID 117411352) is 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid is COc1cc(F)c(Cl)c(CCCC(=O)O)c1O.
What is the InChIKey of 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid?
The InChIKey is HOYGQLYGNONKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO4/c1-17-8-5-7(13)10(12)6(11(8)16)3-2-4-9(14)15/h5,16H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid?
4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid has a molecular weight of 262.66 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid is sourced from PubChem (CID 117411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).