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

C10H10ClFO2 — CID 84682257

IUPAC3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
SMILESCc1cc(Cl)c(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H10ClFO2/c1-6-4-7(2-3-9(13)14)10(12)8(11)5-6/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyMNODCMVHJWWNAB-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.80
Rot. Bonds3

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

3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid (PubChem CID 84682257) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
PubChem CID84682257
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
SMILESCc1cc(Cl)c(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H10ClFO2/c1-6-4-7(2-3-9(13)14)10(12)8(11)5-6/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyMNODCMVHJWWNAB-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
3-(3-chloro-2-fluoro-5-methylphenyl)propanal
CID 117289566
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
3-(5-chloro-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117379989
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
CID 84670371
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid (CID 84682257) is 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid is Cc1cc(Cl)c(F)c(CCC(=O)O)c1.
What is the InChIKey of 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid?
The InChIKey is MNODCMVHJWWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6-4-7(2-3-9(13)14)10(12)8(11)5-6/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid?
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid is sourced from PubChem (CID 84682257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).