2-chloroethyl 3-(4-chlorophenoxy)propanoate

C11H12Cl2O3 — CID 86256389

IUPAC2-chloroethyl 3-(4-chlorophenoxy)propanoate
SMILESO=C(CCOc1ccc(Cl)cc1)OCCCl
InChIInChI=1S/C11H12Cl2O3/c12-6-8-16-11(14)5-7-15-10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKeyPSXRLIZDWJMBQQ-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.89
Rot. Bonds6

About 2-chloroethyl 3-(4-chlorophenoxy)propanoate

2-chloroethyl 3-(4-chlorophenoxy)propanoate (PubChem CID 86256389) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-chloroethyl 3-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name2-chloroethyl 3-(4-chlorophenoxy)propanoate
PubChem CID86256389
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-chloroethyl 3-(4-chlorophenoxy)propanoate
SMILESO=C(CCOc1ccc(Cl)cc1)OCCCl
InChIInChI=1S/C11H12Cl2O3/c12-6-8-16-11(14)5-7-15-10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKeyPSXRLIZDWJMBQQ-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.89
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

(4-chlorophenyl)methyl 3-(4-tert-butylphenoxy)propanoate
CID 2370573
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
2-(4-chlorophenoxy)ethyl hexanoate
CID 13257641
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
5-(4-chlorophenoxy)pentanoate
CID 7037411
2-[3-(4-chlorophenoxy)propyl]propanedioic acid
CID 131842659
4-bromo-1-(4-chlorophenoxy)pentan-3-one
CID 88764306

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 3-(4-chlorophenoxy)propanoate?
The IUPAC name of 2-chloroethyl 3-(4-chlorophenoxy)propanoate (CID 86256389) is 2-chloroethyl 3-(4-chlorophenoxy)propanoate.
What is the SMILES notation for 2-chloroethyl 3-(4-chlorophenoxy)propanoate?
The canonical SMILES for 2-chloroethyl 3-(4-chlorophenoxy)propanoate is O=C(CCOc1ccc(Cl)cc1)OCCCl.
What is the InChIKey of 2-chloroethyl 3-(4-chlorophenoxy)propanoate?
The InChIKey is PSXRLIZDWJMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c12-6-8-16-11(14)5-7-15-10-3-1-9(13)2-4-10/h1-4H,5-8H2.
What are the key properties of 2-chloroethyl 3-(4-chlorophenoxy)propanoate?
2-chloroethyl 3-(4-chlorophenoxy)propanoate has a molecular weight of 263.12 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 3-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 86256389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).