3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid

C15H12Cl2O4 — CID 155146161

IUPAC3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O
InChIInChI=1S/C15H12Cl2O4/c1-20-14-9(3-2-4-11(14)15(18)19)8-21-13-6-5-10(16)7-12(13)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVFFLBQWVCQZRRJ-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.28
Rot. Bonds5

About 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid

3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid (PubChem CID 155146161) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid
PubChem CID155146161
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O
InChIInChI=1S/C15H12Cl2O4/c1-20-14-9(3-2-4-11(14)15(18)19)8-21-13-6-5-10(16)7-12(13)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVFFLBQWVCQZRRJ-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid (CID 155146161) is 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid is COc1c(COc2ccc(Cl)cc2Cl)cccc1C(=O)O.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid?
The InChIKey is VFFLBQWVCQZRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c1-20-14-9(3-2-4-11(14)15(18)19)8-21-13-6-5-10(16)7-12(13)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid?
3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid has a molecular weight of 327.16 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 155146161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).