ethyl 2-[2-(chloromethyl)phenyl]acetate

C11H13ClO2 — CID 13386156

IUPACethyl 2-[2-(chloromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1CCl
InChIInChI=1S/C11H13ClO2/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8H2,1H3
InChIKeyMISIVJUPYQMWCC-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.53
Rot. Bonds4

About ethyl 2-[2-(chloromethyl)phenyl]acetate

ethyl 2-[2-(chloromethyl)phenyl]acetate (PubChem CID 13386156) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is ethyl 2-[2-(chloromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(chloromethyl)phenyl]acetate
PubChem CID13386156
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Nameethyl 2-[2-(chloromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1CCl
InChIInChI=1S/C11H13ClO2/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8H2,1H3
InChIKeyMISIVJUPYQMWCC-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.53
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

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CID 171005942
ethyl 2-phenylacetate
CID 7590
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CID 141257001
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(chloromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(chloromethyl)phenyl]acetate (CID 13386156) is ethyl 2-[2-(chloromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(chloromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(chloromethyl)phenyl]acetate is CCOC(=O)Cc1ccccc1CCl.
What is the InChIKey of ethyl 2-[2-(chloromethyl)phenyl]acetate?
The InChIKey is MISIVJUPYQMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[2-(chloromethyl)phenyl]acetate?
ethyl 2-[2-(chloromethyl)phenyl]acetate has a molecular weight of 212.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(chloromethyl)phenyl]acetate is sourced from PubChem (CID 13386156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).