2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid

C13H16Cl2O3 — CID 143723831

IUPAC2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid
SMILESCCCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O3/c1-4-5-8-6-7-9(11(15)10(8)14)18-13(2,3)12(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyTXHITXMWAGGELD-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.19
Rot. Bonds5

About 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid

2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid (PubChem CID 143723831) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid
PubChem CID143723831
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid
SMILESCCCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O3/c1-4-5-8-6-7-9(11(15)10(8)14)18-13(2,3)12(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyTXHITXMWAGGELD-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid (CID 143723831) is 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid is CCCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid?
The InChIKey is TXHITXMWAGGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-4-5-8-6-7-9(11(15)10(8)14)18-13(2,3)12(16)17/h6-7H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid?
2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid has a molecular weight of 291.17 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-propylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 143723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).