3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid

C11H12Cl2O3 — CID 142389018

IUPAC3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
SMILESCOC(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H12Cl2O3/c1-11(16-2,10(14)15)6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOLYMUMARZJDLKN-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.03
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid

3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid (PubChem CID 142389018) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
PubChem CID142389018
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
SMILESCOC(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H12Cl2O3/c1-11(16-2,10(14)15)6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOLYMUMARZJDLKN-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
diethyl 2-[(3,4-dichlorophenyl)methyl]-2-methylpropanedioate
CID 103972592
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79198318
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid (CID 142389018) is 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid is COC(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid?
The InChIKey is OLYMUMARZJDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-11(16-2,10(14)15)6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid?
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid has a molecular weight of 263.12 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 142389018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).