ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate

C16H14Cl2O3 — CID 107305560

IUPACethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-16(19)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)15(12)18/h3-9H,2,10H2,1H3
InChIKeyNKZXPDWTBVJXIB-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate

ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate (PubChem CID 107305560) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
PubChem CID107305560
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Nameethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-16(19)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)15(12)18/h3-9H,2,10H2,1H3
InChIKeyNKZXPDWTBVJXIB-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
CID 91682734
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
CID 103037722
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
(2,3-dichlorophenyl)methyl 3,5-diaminobenzoate
CID 107309367
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate (CID 107305560) is ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate?
The InChIKey is NKZXPDWTBVJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-2-20-16(19)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)15(12)18/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate?
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate has a molecular weight of 325.19 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate is sourced from PubChem (CID 107305560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).