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

C18H19ClO3 — CID 44589957

IUPAC2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C18H19ClO3/c1-2-3-13-4-6-14(7-5-13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,21)
InChIKeyHAUBEXHZEHBRGI-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.37
Rot. Bonds7

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

2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid (PubChem CID 44589957) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
PubChem CID44589957
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C18H19ClO3/c1-2-3-13-4-6-14(7-5-13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,21)
InChIKeyHAUBEXHZEHBRGI-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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Related Compounds

(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241307

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid (CID 44589957) is 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid is CCCc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid?
The InChIKey is HAUBEXHZEHBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-2-3-13-4-6-14(7-5-13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(4-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-(4-propylphenyl)propanoic acid is sourced from PubChem (CID 44589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).