ethyl 3-(3,5-dichlorophenoxy)benzoate

C15H12Cl2O3 — CID 170871962

IUPACethyl 3-(3,5-dichlorophenoxy)benzoate
SMILESCCOC(=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-19-15(18)10-4-3-5-13(6-10)20-14-8-11(16)7-12(17)9-14/h3-9H,2H2,1H3
InChIKeySYAVGLDVTVHIFI-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.96
Rot. Bonds4

About ethyl 3-(3,5-dichlorophenoxy)benzoate

ethyl 3-(3,5-dichlorophenoxy)benzoate (PubChem CID 170871962) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is ethyl 3-(3,5-dichlorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-(3,5-dichlorophenoxy)benzoate
PubChem CID170871962
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Nameethyl 3-(3,5-dichlorophenoxy)benzoate
SMILESCCOC(=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-19-15(18)10-4-3-5-13(6-10)20-14-8-11(16)7-12(17)9-14/h3-9H,2H2,1H3
InChIKeySYAVGLDVTVHIFI-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
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ethyl 3-[(2R)-butan-2-yl]oxybenzoate
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ethyl 3-acetylbenzoate
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ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
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ethyl 3-(3-chloroanilino)benzoate
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ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
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ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
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ethyl 3-[methylsulfonyl-(3-phenoxybenzoyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-dichlorophenoxy)benzoate?
The IUPAC name of ethyl 3-(3,5-dichlorophenoxy)benzoate (CID 170871962) is ethyl 3-(3,5-dichlorophenoxy)benzoate.
What is the SMILES notation for ethyl 3-(3,5-dichlorophenoxy)benzoate?
The canonical SMILES for ethyl 3-(3,5-dichlorophenoxy)benzoate is CCOC(=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of ethyl 3-(3,5-dichlorophenoxy)benzoate?
The InChIKey is SYAVGLDVTVHIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-2-19-15(18)10-4-3-5-13(6-10)20-14-8-11(16)7-12(17)9-14/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-(3,5-dichlorophenoxy)benzoate?
ethyl 3-(3,5-dichlorophenoxy)benzoate has a molecular weight of 311.16 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dichlorophenoxy)benzoate is sourced from PubChem (CID 170871962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).