2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid

C16H15ClO3 — CID 44589850

IUPAC2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H15ClO3/c1-11-4-2-3-5-12(11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyRLGCYOMFVAOEET-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid

2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid (PubChem CID 44589850) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid
PubChem CID44589850
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H15ClO3/c1-11-4-2-3-5-12(11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyRLGCYOMFVAOEET-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid (CID 44589850) is 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid?
The InChIKey is RLGCYOMFVAOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-4-2-3-5-12(11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 44589850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).