ethyl 3-chloro-2-methoxypropanoate

C6H11ClO3 — CID 55301647

IUPACethyl 3-chloro-2-methoxypropanoate
SMILESCCOC(=O)C(CCl)OC
InChIInChI=1S/C6H11ClO3/c1-3-10-6(8)5(4-7)9-2/h5H,3-4H2,1-2H3
InChIKeyLBXDUPLZJHIPSA-UHFFFAOYSA-N
MW166.60 g/mol
LogP0.80
Rot. Bonds4

About ethyl 3-chloro-2-methoxypropanoate

ethyl 3-chloro-2-methoxypropanoate (PubChem CID 55301647) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is ethyl 3-chloro-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-chloro-2-methoxypropanoate
PubChem CID55301647
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Nameethyl 3-chloro-2-methoxypropanoate
SMILESCCOC(=O)C(CCl)OC
InChIInChI=1S/C6H11ClO3/c1-3-10-6(8)5(4-7)9-2/h5H,3-4H2,1-2H3
InChIKeyLBXDUPLZJHIPSA-UHFFFAOYSA-N
XLogP0.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2-methoxypropanoate?
The IUPAC name of ethyl 3-chloro-2-methoxypropanoate (CID 55301647) is ethyl 3-chloro-2-methoxypropanoate.
What is the SMILES notation for ethyl 3-chloro-2-methoxypropanoate?
The canonical SMILES for ethyl 3-chloro-2-methoxypropanoate is CCOC(=O)C(CCl)OC.
What is the InChIKey of ethyl 3-chloro-2-methoxypropanoate?
The InChIKey is LBXDUPLZJHIPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-3-10-6(8)5(4-7)9-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 3-chloro-2-methoxypropanoate?
ethyl 3-chloro-2-methoxypropanoate has a molecular weight of 166.60 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-2-methoxypropanoate is sourced from PubChem (CID 55301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).