2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid

C10H10ClFO3 — CID 83895316

IUPAC2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)c(F)cc1Cl
InChIInChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-9(15-2)7(11)4-8(6)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBLRVPUGSAIPFAB-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid

2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid (PubChem CID 83895316) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
PubChem CID83895316
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)c(F)cc1Cl
InChIInChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-9(15-2)7(11)4-8(6)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBLRVPUGSAIPFAB-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

Analyze 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
CID 117337126
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
2-(5-chloro-2,4-dimethoxyphenyl)sulfanylpropanoic acid
CID 134098228
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 117445688
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid (CID 83895316) is 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid is COc1cc(C(C)C(=O)O)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid?
The InChIKey is BLRVPUGSAIPFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5(10(13)14)6-3-9(15-2)7(11)4-8(6)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid?
2-(4-chloro-2-fluoro-5-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-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83895316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).