chloromethyl 2-(chloromethoxy)benzoate

C9H8Cl2O3 — CID 57156721

IUPACchloromethyl 2-(chloromethoxy)benzoate
SMILESO=C(OCCl)c1ccccc1OCCl
InChIInChI=1S/C9H8Cl2O3/c10-5-13-8-4-2-1-3-7(8)9(12)14-6-11/h1-4H,5-6H2
InChIKeyLPWYNYJEOPGSDB-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.61
Rot. Bonds4

About chloromethyl 2-(chloromethoxy)benzoate

chloromethyl 2-(chloromethoxy)benzoate (PubChem CID 57156721) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is chloromethyl 2-(chloromethoxy)benzoate.

Molecular Properties

Compound Namechloromethyl 2-(chloromethoxy)benzoate
PubChem CID57156721
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namechloromethyl 2-(chloromethoxy)benzoate
SMILESO=C(OCCl)c1ccccc1OCCl
InChIInChI=1S/C9H8Cl2O3/c10-5-13-8-4-2-1-3-7(8)9(12)14-6-11/h1-4H,5-6H2
InChIKeyLPWYNYJEOPGSDB-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.61
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

bis(chloromethyl) pyridine-2,3-dicarboxylate
CID 139369418
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
dodecyl 2-dodecoxybenzoate
CID 57240468
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
hexyl 2-hexoxybenzoate
CID 86163108
2-ethoxybenzenecarboperoxoic acid
CID 22314606
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
butyl 2-octoxybenzoate
CID 50943104
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
hexyl 2-butoxybenzoate
CID 70562326
butyl 2-nonoxybenzoate
CID 151830441

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-(chloromethoxy)benzoate?
The IUPAC name of chloromethyl 2-(chloromethoxy)benzoate (CID 57156721) is chloromethyl 2-(chloromethoxy)benzoate.
What is the SMILES notation for chloromethyl 2-(chloromethoxy)benzoate?
The canonical SMILES for chloromethyl 2-(chloromethoxy)benzoate is O=C(OCCl)c1ccccc1OCCl.
What is the InChIKey of chloromethyl 2-(chloromethoxy)benzoate?
The InChIKey is LPWYNYJEOPGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c10-5-13-8-4-2-1-3-7(8)9(12)14-6-11/h1-4H,5-6H2.
What are the key properties of chloromethyl 2-(chloromethoxy)benzoate?
chloromethyl 2-(chloromethoxy)benzoate has a molecular weight of 235.07 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-(chloromethoxy)benzoate is sourced from PubChem (CID 57156721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).