2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid

C10H10ClFO3 — CID 117337126

IUPAC2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-4-7(15-2)8(11)9(6)12/h3-5H,1-2H3,(H,13,14)
InChIKeyHIODCSCRUUIRAD-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid

2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid (PubChem CID 117337126) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
PubChem CID117337126
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-4-7(15-2)8(11)9(6)12/h3-5H,1-2H3,(H,13,14)
InChIKeyHIODCSCRUUIRAD-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid (CID 117337126) is 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid is COc1ccc(C(C)C(=O)O)c(F)c1Cl.
What is the InChIKey of 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid?
The InChIKey is HIODCSCRUUIRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-4-7(15-2)8(11)9(6)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid?
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117337126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).