2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate

C14H16Cl2O6 — CID 3524641

IUPAC2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCOc1cccc(OCCOC(=O)CCl)c1
InChIInChI=1S/C14H16Cl2O6/c15-9-13(17)21-6-4-19-11-2-1-3-12(8-11)20-5-7-22-14(18)10-16/h1-3,8H,4-7,9-10H2
InChIKeyZLRAYESFPJRWEA-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.01
Rot. Bonds10

About 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate

2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate (PubChem CID 3524641) has the molecular formula C14H16Cl2O6 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
PubChem CID3524641
Molecular FormulaC14H16Cl2O6
Molecular Weight351.18 g/mol
Exact Mass350.03
IUPAC Name2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCOc1cccc(OCCOC(=O)CCl)c1
InChIInChI=1S/C14H16Cl2O6/c15-9-13(17)21-6-4-19-11-2-1-3-12(8-11)20-5-7-22-14(18)10-16/h1-3,8H,4-7,9-10H2
InChIKeyZLRAYESFPJRWEA-UHFFFAOYSA-N
XLogP2.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667
[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate
CID 91704655
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate
CID 46210986
2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
CID 169366194
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
CID 54333779

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate?
The IUPAC name of 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate (CID 3524641) is 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate?
The canonical SMILES for 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate is O=C(CCl)OCCOc1cccc(OCCOC(=O)CCl)c1.
What is the InChIKey of 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate?
The InChIKey is ZLRAYESFPJRWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O6/c15-9-13(17)21-6-4-19-11-2-1-3-12(8-11)20-5-7-22-14(18)10-16/h1-3,8H,4-7,9-10H2.
What are the key properties of 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate?
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate has a molecular weight of 351.18 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate is sourced from PubChem (CID 3524641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).