2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid

C13H16Cl2O2 — CID 83149411

IUPAC2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H16Cl2O2/c1-8(2)13(3,12(16)17)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyQEFHSSDTRWIAHA-UHFFFAOYSA-N
MW275.17 g/mol
LogP4.28
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid

2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 83149411) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
PubChem CID83149411
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H16Cl2O2/c1-8(2)13(3,12(16)17)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyQEFHSSDTRWIAHA-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148534
2-[(3-amino-4-chlorophenyl)methyl]-2,3,4,4-tetramethylpentanoic acid
CID 67216041
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148791
2-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149674
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
CID 62622579

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid (CID 83149411) is 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid is CC(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is QEFHSSDTRWIAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-8(2)13(3,12(16)17)7-9-4-5-10(14)11(15)6-9/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid?
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 275.17 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83149411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).