methyl 2,6-dichloro-3-methoxybenzoate

C9H8Cl2O3 — CID 72942143

IUPACmethyl 2,6-dichloro-3-methoxybenzoate
SMILESCOC(=O)c1c(Cl)ccc(OC)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,1-2H3
InChIKeyJNVDRHPOEZWRHN-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.79
Rot. Bonds2

About methyl 2,6-dichloro-3-methoxybenzoate

methyl 2,6-dichloro-3-methoxybenzoate (PubChem CID 72942143) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2,6-dichloro-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-3-methoxybenzoate
PubChem CID72942143
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namemethyl 2,6-dichloro-3-methoxybenzoate
SMILESCOC(=O)c1c(Cl)ccc(OC)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,1-2H3
InChIKeyJNVDRHPOEZWRHN-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,6-dichloro-3-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 2-chloro-6-[(1R)-1-cyanoethyl]-3-methoxybenzoate
CID 129410863
methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
methyl 2-chloro-3-methoxybenzoate
CID 10262208
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride
CID 70564288
methyl 3,6-dichloro-2-(trifluoromethyl)benzoate
CID 167314115
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
methyl 2-amino-6-chloro-3-iodobenzoate
CID 126738254

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-3-methoxybenzoate?
The IUPAC name of methyl 2,6-dichloro-3-methoxybenzoate (CID 72942143) is methyl 2,6-dichloro-3-methoxybenzoate.
What is the SMILES notation for methyl 2,6-dichloro-3-methoxybenzoate?
The canonical SMILES for methyl 2,6-dichloro-3-methoxybenzoate is COC(=O)c1c(Cl)ccc(OC)c1Cl.
What is the InChIKey of methyl 2,6-dichloro-3-methoxybenzoate?
The InChIKey is JNVDRHPOEZWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,1-2H3.
What are the key properties of methyl 2,6-dichloro-3-methoxybenzoate?
methyl 2,6-dichloro-3-methoxybenzoate has a molecular weight of 235.07 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-3-methoxybenzoate is sourced from PubChem (CID 72942143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).