2,4,6-trimethylbenzoic acid;hydrochloride

C10H13ClO2 — CID 69338444

IUPAC2,4,6-trimethylbenzoic acid;hydrochloride
SMILESCc1cc(C)c(C(=O)O)c(C)c1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-6-4-7(2)9(10(11)12)8(3)5-6;/h4-5H,1-3H3,(H,11,12);1H
InChIKeyYTIQBBLJPJMQJS-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.73
Rot. Bonds1

About 2,4,6-trimethylbenzoic acid;hydrochloride

2,4,6-trimethylbenzoic acid;hydrochloride (PubChem CID 69338444) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2,4,6-trimethylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name2,4,6-trimethylbenzoic acid;hydrochloride
PubChem CID69338444
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2,4,6-trimethylbenzoic acid;hydrochloride
SMILESCc1cc(C)c(C(=O)O)c(C)c1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-6-4-7(2)9(10(11)12)8(3)5-6;/h4-5H,1-3H3,(H,11,12);1H
InChIKeyYTIQBBLJPJMQJS-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
2-(difluoromethyl)-4,6-dimethylbenzoic acid
CID 131256404
2,4-dimethyl-6-nitrobenzoic acid
CID 53416170
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
CID 140911137
CID 140911137
4-(2-hydroxypropan-2-yl)-2,6-dimethylbenzoic acid
CID 169285899
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
4-[[4-[bis(4-carboxy-3,5-dimethylphenyl)methyl]phenyl]-(4-carboxy-3,5-dimethylphenyl)methyl]-2,6-dimethylbenzoic acid
CID 139962404
4-[2-(4-carboxy-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-dimethylbenzoic acid
CID 129167026

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbenzoic acid;hydrochloride?
The IUPAC name of 2,4,6-trimethylbenzoic acid;hydrochloride (CID 69338444) is 2,4,6-trimethylbenzoic acid;hydrochloride.
What is the SMILES notation for 2,4,6-trimethylbenzoic acid;hydrochloride?
The canonical SMILES for 2,4,6-trimethylbenzoic acid;hydrochloride is Cc1cc(C)c(C(=O)O)c(C)c1.Cl.
What is the InChIKey of 2,4,6-trimethylbenzoic acid;hydrochloride?
The InChIKey is YTIQBBLJPJMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.ClH/c1-6-4-7(2)9(10(11)12)8(3)5-6;/h4-5H,1-3H3,(H,11,12);1H.
What are the key properties of 2,4,6-trimethylbenzoic acid;hydrochloride?
2,4,6-trimethylbenzoic acid;hydrochloride has a molecular weight of 200.66 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbenzoic acid;hydrochloride is sourced from PubChem (CID 69338444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).