methyl 2-chloro-2-(4-chlorophenyl)propanoate

C10H10Cl2O2 — CID 19781425

IUPACmethyl 2-chloro-2-(4-chlorophenyl)propanoate
SMILESCOC(=O)C(C)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyAWHSRHROFIKQNK-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.97
Rot. Bonds2

About methyl 2-chloro-2-(4-chlorophenyl)propanoate

methyl 2-chloro-2-(4-chlorophenyl)propanoate (PubChem CID 19781425) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is methyl 2-chloro-2-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(4-chlorophenyl)propanoate
PubChem CID19781425
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namemethyl 2-chloro-2-(4-chlorophenyl)propanoate
SMILESCOC(=O)C(C)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyAWHSRHROFIKQNK-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
CID 105490299
methyl (2S)-2-(4-chlorophenyl)-2-cyano-2-fluoroacetate
CID 135055714
methyl 3-[(4-chlorophenyl)methoxy]-2,2-dimethylpropanoate
CID 79622106
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
5-O-tert-butyl 1-O-methyl 2-(4-chlorophenyl)-2-methylpentanedioate
CID 67338177
methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate
CID 65127216
1,1-bis(4-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91751426
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 3-[(4-chlorophenyl)methylsulfonyl]-2,2-dimethylpropanoate
CID 114790044

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-(4-chlorophenyl)propanoate?
The IUPAC name of methyl 2-chloro-2-(4-chlorophenyl)propanoate (CID 19781425) is methyl 2-chloro-2-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl 2-chloro-2-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl 2-chloro-2-(4-chlorophenyl)propanoate is COC(=O)C(C)(Cl)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-chloro-2-(4-chlorophenyl)propanoate?
The InChIKey is AWHSRHROFIKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of methyl 2-chloro-2-(4-chlorophenyl)propanoate?
methyl 2-chloro-2-(4-chlorophenyl)propanoate has a molecular weight of 233.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-(4-chlorophenyl)propanoate is sourced from PubChem (CID 19781425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).