3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid

C10H10ClFO3 — CID 84696203

IUPAC3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
SMILESCc1c(F)cc(Cl)c(O)c1CCC(=O)O
InChIInChI=1S/C10H10ClFO3/c1-5-6(2-3-9(13)14)10(15)7(11)4-8(5)12/h4,15H,2-3H2,1H3,(H,13,14)
InChIKeyNFHVFKYMDULTGU-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.51
Rot. Bonds3

About 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid

3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid (PubChem CID 84696203) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
PubChem CID84696203
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
SMILESCc1c(F)cc(Cl)c(O)c1CCC(=O)O
InChIInChI=1S/C10H10ClFO3/c1-5-6(2-3-9(13)14)10(15)7(11)4-8(5)12/h4,15H,2-3H2,1H3,(H,13,14)
InChIKeyNFHVFKYMDULTGU-UHFFFAOYSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84797137
4-amino-4-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)butanoic acid
CID 117408962
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid
CID 23268445
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
4-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)butanoic acid
CID 117400546
3-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117373754

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid (CID 84696203) is 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid is Cc1c(F)cc(Cl)c(O)c1CCC(=O)O.
What is the InChIKey of 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid?
The InChIKey is NFHVFKYMDULTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5-6(2-3-9(13)14)10(15)7(11)4-8(5)12/h4,15H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid?
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid is sourced from PubChem (CID 84696203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).