methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate

C15H12Cl2O3 — CID 44570905

IUPACmethyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-15(18)11-5-6-14(13(17)8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyNBTYBZSOAANIEK-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.36
Rot. Bonds4

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

methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate (PubChem CID 44570905) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
PubChem CID44570905
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namemethyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-15(18)11-5-6-14(13(17)8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyNBTYBZSOAANIEK-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate (CID 44570905) is methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The InChIKey is NBTYBZSOAANIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-15(18)11-5-6-14(13(17)8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3.
What are the key properties of methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate has a molecular weight of 311.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 44570905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).