2,4,6-trimethylbenzoic acid

C10H12O2 — CID 10194

IUPAC2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1
InChIInChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyFFFIRKXTFQCCKJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.31
Rot. Bonds1

About 2,4,6-trimethylbenzoic acid

2,4,6-trimethylbenzoic acid (PubChem CID 10194) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name2,4,6-trimethylbenzoic acid
PubChem CID10194
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1
InChIInChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyFFFIRKXTFQCCKJ-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phthalic Acid
CID 1017
Terephthalic Acid
CID 7489
Bexarotene
CID 82146
Isophthalic Acid
CID 8496
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
3-(Trifluoromethyl)benzoic acid
CID 9963
Pyromellitic Acid
CID 6961
Trimellitic acid
CID 10708

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbenzoic acid?
The IUPAC name of 2,4,6-trimethylbenzoic acid (CID 10194) is 2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 2,4,6-trimethylbenzoic acid?
The canonical SMILES for 2,4,6-trimethylbenzoic acid is Cc1cc(C)c(C(=O)O)c(C)c1.
What is the InChIKey of 2,4,6-trimethylbenzoic acid?
The InChIKey is FFFIRKXTFQCCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2,4,6-trimethylbenzoic acid?
2,4,6-trimethylbenzoic acid has a molecular weight of 164.20 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 10194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).