methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate

C15H12Cl2O3 — CID 75488427

IUPACmethyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-14-6-9(3-11(7-14)15(18)20-2)10-4-12(16)8-13(17)5-10/h3-8H,1-2H3
InChIKeyWAWSOPGZNVDLCT-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.46
Rot. Bonds3

About methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate

methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate (PubChem CID 75488427) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
PubChem CID75488427
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namemethyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-14-6-9(3-11(7-14)15(18)20-2)10-4-12(16)8-13(17)5-10/h3-8H,1-2H3
InChIKeyWAWSOPGZNVDLCT-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
methyl 3-(3-chloro-5-fluorophenyl)-5-nitrobenzoate
CID 75488454
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 3-(4-chlorophenyl)-5-nitrobenzoate
CID 625971
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate?
The IUPAC name of methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate (CID 75488427) is methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate.
What is the SMILES notation for methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate?
The canonical SMILES for methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate is COC(=O)c1cc(OC)cc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate?
The InChIKey is WAWSOPGZNVDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-14-6-9(3-11(7-14)15(18)20-2)10-4-12(16)8-13(17)5-10/h3-8H,1-2H3.
What are the key properties of methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate?
methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate has a molecular weight of 311.16 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate is sourced from PubChem (CID 75488427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).