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

C17H16Cl2O4 — CID 91682250

IUPACmethyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O4/c1-3-22-15-9-12(17(20)21-2)8-14(19)16(15)23-10-11-4-6-13(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyKUMHALZNGNHFKN-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.76
Rot. Bonds6

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

methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate (PubChem CID 91682250) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
PubChem CID91682250
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Namemethyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O4/c1-3-22-15-9-12(17(20)21-2)8-14(19)16(15)23-10-11-4-6-13(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyKUMHALZNGNHFKN-UHFFFAOYSA-N
XLogP4.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
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-methoxybenzoic acid
CID 8706920
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17059432
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208508
[2-(4-chlorophenyl)-2-oxoethyl] 3-chloro-4,5-diethoxybenzoate
CID 3931709
N-[(E)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368624

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The IUPAC name of methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate (CID 91682250) is methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate.
What is the SMILES notation for methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The canonical SMILES for methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate is CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
The InChIKey is KUMHALZNGNHFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-3-22-15-9-12(17(20)21-2)8-14(19)16(15)23-10-11-4-6-13(18)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate?
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate has a molecular weight of 355.22 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate is sourced from PubChem (CID 91682250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).