2-(3,4-dichlorophenyl)-2-methoxyacetic acid

C9H8Cl2O3 — CID 4552728

IUPAC2-(3,4-dichlorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-14-8(9(12)13)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3,(H,12,13)
InChIKeyCICPXDRPEAWVIT-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.77
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-methoxyacetic acid

2-(3,4-dichlorophenyl)-2-methoxyacetic acid (PubChem CID 4552728) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methoxyacetic acid
PubChem CID4552728
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name2-(3,4-dichlorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2O3/c1-14-8(9(12)13)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3,(H,12,13)
InChIKeyCICPXDRPEAWVIT-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methoxyacetic acid (CID 4552728) is 2-(3,4-dichlorophenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methoxyacetic acid is COC(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methoxyacetic acid?
The InChIKey is CICPXDRPEAWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-8(9(12)13)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3,(H,12,13).
What are the key properties of 2-(3,4-dichlorophenyl)-2-methoxyacetic acid?
2-(3,4-dichlorophenyl)-2-methoxyacetic acid has a molecular weight of 235.07 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-methoxyacetic acid is sourced from PubChem (CID 4552728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).