ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate

C16H13Cl3O3 — CID 91682734

IUPACethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3O3/c1-2-21-16(20)11-7-13(18)15(14(19)8-11)22-9-10-5-3-4-6-12(10)17/h3-8H,2,9H2,1H3
InChIKeyMSUQXJPTKGSGLZ-UHFFFAOYSA-N
MW359.64 g/mol
LogP5.40
Rot. Bonds5

About ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate

ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 91682734) has the molecular formula C16H13Cl3O3 and a molecular weight of 359.64 g/mol. Its IUPAC name is ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
PubChem CID91682734
Molecular FormulaC16H13Cl3O3
Molecular Weight359.64 g/mol
Exact Mass357.99
IUPAC Nameethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3O3/c1-2-21-16(20)11-7-13(18)15(14(19)8-11)22-9-10-5-3-4-6-12(10)17/h3-8H,2,9H2,1H3
InChIKeyMSUQXJPTKGSGLZ-UHFFFAOYSA-N
XLogP5.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682296
ethyl 3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91685998
ethyl 3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91685967
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
prop-2-ynyl 3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91682729
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate (CID 91682734) is ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate is CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is MSUQXJPTKGSGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O3/c1-2-21-16(20)11-7-13(18)15(14(19)8-11)22-9-10-5-3-4-6-12(10)17/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate?
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 359.64 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 91682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).