3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid

C10H10Cl2O4 — CID 13202156

IUPAC3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
SMILESCOc1c(Cl)c(C)c(Cl)c(OC)c1C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-4-6(11)8(15-2)5(10(13)14)9(16-3)7(4)12/h1-3H3,(H,13,14)
InChIKeyIJXPITYCMKPDJK-UHFFFAOYSA-N
MW265.09 g/mol
LogP3.02
Rot. Bonds3

About 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid

3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid (PubChem CID 13202156) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
PubChem CID13202156
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
SMILESCOc1c(Cl)c(C)c(Cl)c(OC)c1C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-4-6(11)8(15-2)5(10(13)14)9(16-3)7(4)12/h1-3H3,(H,13,14)
InChIKeyIJXPITYCMKPDJK-UHFFFAOYSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid?
The IUPAC name of 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid (CID 13202156) is 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid.
What is the SMILES notation for 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid?
The canonical SMILES for 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid is COc1c(Cl)c(C)c(Cl)c(OC)c1C(=O)O.
What is the InChIKey of 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid?
The InChIKey is IJXPITYCMKPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-4-6(11)8(15-2)5(10(13)14)9(16-3)7(4)12/h1-3H3,(H,13,14).
What are the key properties of 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid?
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid has a molecular weight of 265.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid is sourced from PubChem (CID 13202156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).