2-(4-chlorophenoxy)-2-methylpropanoic acid

C10H11ClO3 — CID 2797

IUPAC2-(4-chlorophenoxy)-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKeyTXCGAZHTZHNUAI-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-chlorophenoxy)-2-methylpropanoic acid

2-(4-chlorophenoxy)-2-methylpropanoic acid (PubChem CID 2797) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methylpropanoic acid
PubChem CID2797
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(4-chlorophenoxy)-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKeyTXCGAZHTZHNUAI-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Clofibrate
CID 2796
Mecoprop
CID 7153
(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
(4-chloro-2-Methylphenoxy)acetic acid
CID 7204
2,4-D n-butyl ester
CID 7206
Dichlorprop
CID 8427
(4-Chlorophenoxy)acetic acid
CID 26229
(+-)-2-(3-Chlorophenoxy)propionic acid
CID 7542
2-(4-Chlorophenoxy)ethanol
CID 15907
Dichlorprop-P
CID 119435
Mecoprop-P
CID 185588
3-Chlorophenoxyacetic acid
CID 11497

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanoic acid (CID 2797) is 2-(4-chlorophenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methylpropanoic acid is CC(C)(Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methylpropanoic acid?
The InChIKey is TXCGAZHTZHNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-chlorophenoxy)-2-methylpropanoic acid?
2-(4-chlorophenoxy)-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 2797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).