methyl 2-chloro-2-(2,3-dimethylphenyl)acetate

C11H13ClO2 — CID 62225659

IUPACmethyl 2-chloro-2-(2,3-dimethylphenyl)acetate
SMILESCOC(=O)C(Cl)c1cccc(C)c1C
InChIInChI=1S/C11H13ClO2/c1-7-5-4-6-9(8(7)2)10(12)11(13)14-3/h4-6,10H,1-3H3
InChIKeyOLDYITAMDXUDPT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.76
Rot. Bonds2

About methyl 2-chloro-2-(2,3-dimethylphenyl)acetate

methyl 2-chloro-2-(2,3-dimethylphenyl)acetate (PubChem CID 62225659) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is methyl 2-chloro-2-(2,3-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(2,3-dimethylphenyl)acetate
PubChem CID62225659
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Namemethyl 2-chloro-2-(2,3-dimethylphenyl)acetate
SMILESCOC(=O)C(Cl)c1cccc(C)c1C
InChIInChI=1S/C11H13ClO2/c1-7-5-4-6-9(8(7)2)10(12)11(13)14-3/h4-6,10H,1-3H3
InChIKeyOLDYITAMDXUDPT-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.76
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

(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
methyl (3R)-3-amino-3-(2,3-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171240511
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
methyl 2-chloro-2-(9,10-dioxoanthracen-1-yl)acetate
CID 13270885
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
methyl 2-chloro-2-(3,4-dimethylphenyl)acetate
CID 62224922
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-(2,3-dimethylphenyl)acetate?
The IUPAC name of methyl 2-chloro-2-(2,3-dimethylphenyl)acetate (CID 62225659) is methyl 2-chloro-2-(2,3-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-chloro-2-(2,3-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-chloro-2-(2,3-dimethylphenyl)acetate is COC(=O)C(Cl)c1cccc(C)c1C.
What is the InChIKey of methyl 2-chloro-2-(2,3-dimethylphenyl)acetate?
The InChIKey is OLDYITAMDXUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-5-4-6-9(8(7)2)10(12)11(13)14-3/h4-6,10H,1-3H3.
What are the key properties of methyl 2-chloro-2-(2,3-dimethylphenyl)acetate?
methyl 2-chloro-2-(2,3-dimethylphenyl)acetate has a molecular weight of 212.68 g/mol, XLogP of 2.76, 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-(2,3-dimethylphenyl)acetate is sourced from PubChem (CID 62225659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).