methyl 3-(chloromethyl)-2-methoxybenzoate

C10H11ClO3 — CID 22615935

IUPACmethyl 3-(chloromethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cccc(CCl)c1OC
InChIInChI=1S/C10H11ClO3/c1-13-9-7(6-11)4-3-5-8(9)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyLMOJONOQKJVKFS-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.22
Rot. Bonds3

About methyl 3-(chloromethyl)-2-methoxybenzoate

methyl 3-(chloromethyl)-2-methoxybenzoate (PubChem CID 22615935) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 3-(chloromethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(chloromethyl)-2-methoxybenzoate
PubChem CID22615935
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 3-(chloromethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cccc(CCl)c1OC
InChIInChI=1S/C10H11ClO3/c1-13-9-7(6-11)4-3-5-8(9)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyLMOJONOQKJVKFS-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
1-[3-(chloromethyl)-2-methoxyphenyl]propan-2-one
CID 118843525
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-(3-bromopropyl)-3-(chloromethyl)benzoate
CID 131297475
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 3-[5-(chloromethyl)-2-pyridinyl]-2-methoxybenzoate
CID 168958454
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
CID 90953243
methyl 2-[2-(chloromethyl)phenyl]-2-oxoacetate
CID 14697243

Frequently Asked Questions

What is the IUPAC name of methyl 3-(chloromethyl)-2-methoxybenzoate?
The IUPAC name of methyl 3-(chloromethyl)-2-methoxybenzoate (CID 22615935) is methyl 3-(chloromethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 3-(chloromethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 3-(chloromethyl)-2-methoxybenzoate is COC(=O)c1cccc(CCl)c1OC.
What is the InChIKey of methyl 3-(chloromethyl)-2-methoxybenzoate?
The InChIKey is LMOJONOQKJVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-9-7(6-11)4-3-5-8(9)10(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 3-(chloromethyl)-2-methoxybenzoate?
methyl 3-(chloromethyl)-2-methoxybenzoate has a molecular weight of 214.65 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(chloromethyl)-2-methoxybenzoate is sourced from PubChem (CID 22615935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).