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

C18H19ClO3 — CID 44589851

IUPAC2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid
SMILESCCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H19ClO3/c1-2-5-13-6-3-4-7-14(13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21)
InChIKeyFHEAQCKFXSAESZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.37
Rot. Bonds7

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

2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid (PubChem CID 44589851) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid
PubChem CID44589851
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid
SMILESCCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H19ClO3/c1-2-5-13-6-3-4-7-14(13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21)
InChIKeyFHEAQCKFXSAESZ-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.37
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-propylphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid (CID 44589851) is 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid is CCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid?
The InChIKey is FHEAQCKFXSAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-2-5-13-6-3-4-7-14(13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.37, 7 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-propylphenyl)propanoic acid is sourced from PubChem (CID 44589851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).