(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate

C16H14Cl2O4 — CID 925956

IUPAC(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2O4/c1-20-14-7-6-10(8-15(14)21-2)16(19)22-9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3
InChIKeyQZQAPAZEYONFOM-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.37
Rot. Bonds5

About (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate

(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate (PubChem CID 925956) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
PubChem CID925956
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2O4/c1-20-14-7-6-10(8-15(14)21-2)16(19)22-9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3
InChIKeyQZQAPAZEYONFOM-UHFFFAOYSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate 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

(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
CID 8840295
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
(2,6-dichlorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2370953
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(2-chloro-6-fluorophenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973521
(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate (CID 925956) is (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate?
The InChIKey is QZQAPAZEYONFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-20-14-7-6-10(8-15(14)21-2)16(19)22-9-11-12(17)4-3-5-13(11)18/h3-8H,9H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate?
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate has a molecular weight of 341.19 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate is sourced from PubChem (CID 925956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).