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

C10H10Cl2O2 — CID 82645725

IUPAC3,5-dichloro-2,4,6-trimethylbenzoic acid
SMILESCc1c(Cl)c(C)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-7(10(13)14)5(2)9(12)6(3)8(4)11/h1-3H3,(H,13,14)
InChIKeyWILFVSDDWVNKII-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.62
Rot. Bonds1

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

3,5-dichloro-2,4,6-trimethylbenzoic acid (PubChem CID 82645725) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3,5-dichloro-2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2,4,6-trimethylbenzoic acid
PubChem CID82645725
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3,5-dichloro-2,4,6-trimethylbenzoic acid
SMILESCc1c(Cl)c(C)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-7(10(13)14)5(2)9(12)6(3)8(4)11/h1-3H3,(H,13,14)
InChIKeyWILFVSDDWVNKII-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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Related Compounds

2,5-dichloro-3,4,6-trimethylbenzoic acid
CID 20648398
3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid
CID 3056891
5-chloro-2-cyclopropyl-4,6-dimethylbenzene-1,3-dicarboxylic acid
CID 150496743
3,4,5,6,7,8-hexachloro-2-methylnaphthalene-1-carboxylic acid
CID 57039695
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156
2-chloro-4,5,6-trifluoro-3-methylbenzoic acid
CID 90460489
3,5,6-trichlorobenzene-1,2,4-tricarboxylic acid
CID 13084164
bis(3,4,5,6-tetrachlorophthalic acid);zirconium
CID 20995095
bis(3,4,5,6-tetrachlorophthalic acid);hydrate
CID 155487673
3,5-diacetyloxy-2,6-dichloro-4-methylbenzoic acid
CID 170987477
4-bromo-2-chloro-5,6-dihydroxy-3-methylbenzoic acid
CID 141171161
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4,6-trimethylbenzoic acid?
The IUPAC name of 3,5-dichloro-2,4,6-trimethylbenzoic acid (CID 82645725) is 3,5-dichloro-2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 3,5-dichloro-2,4,6-trimethylbenzoic acid?
The canonical SMILES for 3,5-dichloro-2,4,6-trimethylbenzoic acid is Cc1c(Cl)c(C)c(C(=O)O)c(C)c1Cl.
What is the InChIKey of 3,5-dichloro-2,4,6-trimethylbenzoic acid?
The InChIKey is WILFVSDDWVNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-4-7(10(13)14)5(2)9(12)6(3)8(4)11/h1-3H3,(H,13,14).
What are the key properties of 3,5-dichloro-2,4,6-trimethylbenzoic acid?
3,5-dichloro-2,4,6-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 3,5-dichloro-2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 82645725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).