2,5-dichloro-3,4,6-trimethylbenzoic acid

C10H10Cl2O2 — CID 20648398

IUPAC2,5-dichloro-3,4,6-trimethylbenzoic acid
SMILESCc1c(C)c(Cl)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-5(2)9(12)7(10(13)14)6(3)8(4)11/h1-3H3,(H,13,14)
InChIKeyOUEANAKQKQUOEB-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.62
Rot. Bonds1

About 2,5-dichloro-3,4,6-trimethylbenzoic acid

2,5-dichloro-3,4,6-trimethylbenzoic acid (PubChem CID 20648398) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2,5-dichloro-3,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3,4,6-trimethylbenzoic acid
PubChem CID20648398
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2,5-dichloro-3,4,6-trimethylbenzoic acid
SMILESCc1c(C)c(Cl)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-5(2)9(12)7(10(13)14)6(3)8(4)11/h1-3H3,(H,13,14)
InChIKeyOUEANAKQKQUOEB-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,4,6-trimethylbenzoic acid?
The IUPAC name of 2,5-dichloro-3,4,6-trimethylbenzoic acid (CID 20648398) is 2,5-dichloro-3,4,6-trimethylbenzoic acid.
What is the SMILES notation for 2,5-dichloro-3,4,6-trimethylbenzoic acid?
The canonical SMILES for 2,5-dichloro-3,4,6-trimethylbenzoic acid is Cc1c(C)c(Cl)c(C(=O)O)c(C)c1Cl.
What is the InChIKey of 2,5-dichloro-3,4,6-trimethylbenzoic acid?
The InChIKey is OUEANAKQKQUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-4-5(2)9(12)7(10(13)14)6(3)8(4)11/h1-3H3,(H,13,14).
What are the key properties of 2,5-dichloro-3,4,6-trimethylbenzoic acid?
2,5-dichloro-3,4,6-trimethylbenzoic acid has a molecular weight of 233.09 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,4,6-trimethylbenzoic acid is sourced from PubChem (CID 20648398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).