3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid

C13H14ClFO3 — CID 117434417

IUPAC3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)cc(Cl)c1OCC1CC1
InChIInChI=1S/C13H14ClFO3/c14-11-6-10(15)5-9(3-4-12(16)17)13(11)18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyRXPKAJMCPDWALW-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.29
Rot. Bonds6

About 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid

3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid (PubChem CID 117434417) has the molecular formula C13H14ClFO3 and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
PubChem CID117434417
Molecular FormulaC13H14ClFO3
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)cc(Cl)c1OCC1CC1
InChIInChI=1S/C13H14ClFO3/c14-11-6-10(15)5-9(3-4-12(16)17)13(11)18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyRXPKAJMCPDWALW-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]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

3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117481659
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
CID 117479484
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
CID 162738083
3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid
CID 84714596
3-(5-chloro-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117379989
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
CID 83894588

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid?
The IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid (CID 117434417) is 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid is O=C(O)CCc1cc(F)cc(Cl)c1OCC1CC1.
What is the InChIKey of 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid?
The InChIKey is RXPKAJMCPDWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO3/c14-11-6-10(15)5-9(3-4-12(16)17)13(11)18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,16,17).
What are the key properties of 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid?
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid has a molecular weight of 272.70 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid is sourced from PubChem (CID 117434417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).