2-(3,4-dichlorophenyl)-2-methylpropanoate

C10H9Cl2O2- — CID 51664096

IUPAC2-(3,4-dichlorophenyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-10(2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3,(H,13,14)/p-1
InChIKeyHABYUGCUALNAMM-UHFFFAOYSA-M
MW232.09 g/mol
LogP2.02
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-2-methylpropanoate

2-(3,4-dichlorophenyl)-2-methylpropanoate (PubChem CID 51664096) has the molecular formula C10H9Cl2O2- and a molecular weight of 232.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methylpropanoate
PubChem CID51664096
Molecular FormulaC10H9Cl2O2-
Molecular Weight232.09 g/mol
Exact Mass231.00
IUPAC Name2-(3,4-dichlorophenyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-10(2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3,(H,13,14)/p-1
InChIKeyHABYUGCUALNAMM-UHFFFAOYSA-M
XLogP2.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.09
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 49320012
sodium 4-(3,5-dichloroanilino)-2-(3,4-dichlorophenyl)-2-methyl-4-oxobutanoate
CID 146146594
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
CID 49379512
2-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 83745278
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methylpropanoate?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methylpropanoate (CID 51664096) is 2-(3,4-dichlorophenyl)-2-methylpropanoate.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methylpropanoate?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methylpropanoate is CC(C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methylpropanoate?
The InChIKey is HABYUGCUALNAMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10Cl2O2/c1-10(2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3,(H,13,14)/p-1.
What are the key properties of 2-(3,4-dichlorophenyl)-2-methylpropanoate?
2-(3,4-dichlorophenyl)-2-methylpropanoate has a molecular weight of 232.09 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-methylpropanoate is sourced from PubChem (CID 51664096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).