3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate

C16H13Cl2O4- — CID 8706924

IUPAC3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O4/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20)/p-1
InChIKeyNWLIZYAECDDHKR-UHFFFAOYSA-M
MW340.18 g/mol
LogP3.33
Rot. Bonds6

About 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate

3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate (PubChem CID 8706924) has the molecular formula C16H13Cl2O4- and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
PubChem CID8706924
Molecular FormulaC16H13Cl2O4-
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O4/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20)/p-1
InChIKeyNWLIZYAECDDHKR-UHFFFAOYSA-M
XLogP3.33
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
3-chloro-4,5-diethoxybenzoate
CID 7326781
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]benzoate
CID 8707056
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
CID 91682374
3-chloro-4-ethoxybenzoate
CID 6927202
3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-methylbenzoic acid
CID 17059427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate (CID 8706924) is 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate is CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The InChIKey is NWLIZYAECDDHKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14Cl2O4/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20)/p-1.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate has a molecular weight of 340.18 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate is sourced from PubChem (CID 8706924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).