3-hydroxy-2,4,6-trimethylbenzoic acid

C10H12O3 — CID 84657275

IUPAC3-hydroxy-2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1O
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyQMLBHINEFDRUBM-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.02
Rot. Bonds1

About 3-hydroxy-2,4,6-trimethylbenzoic acid

3-hydroxy-2,4,6-trimethylbenzoic acid (PubChem CID 84657275) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-hydroxy-2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4,6-trimethylbenzoic acid
PubChem CID84657275
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-hydroxy-2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1O
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyQMLBHINEFDRUBM-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 153324668
3-[4-(3-carboxy-2,4,6-trimethylphenyl)butyl]-2,4,6-trimethylbenzoic acid
CID 101483124
1-(3,6-dihydroxy-2,4-dimethylphenyl)ethanone
CID 12523113
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
4-bromooxy-2-hydroxy-3,6-dimethylbenzoic acid
CID 177152774
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
2-iodyl-3,5,6-trimethylbenzoic acid
CID 23357914
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,6-trimethylbenzoic acid?
The IUPAC name of 3-hydroxy-2,4,6-trimethylbenzoic acid (CID 84657275) is 3-hydroxy-2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 3-hydroxy-2,4,6-trimethylbenzoic acid?
The canonical SMILES for 3-hydroxy-2,4,6-trimethylbenzoic acid is Cc1cc(C)c(C(=O)O)c(C)c1O.
What is the InChIKey of 3-hydroxy-2,4,6-trimethylbenzoic acid?
The InChIKey is QMLBHINEFDRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13).
What are the key properties of 3-hydroxy-2,4,6-trimethylbenzoic acid?
3-hydroxy-2,4,6-trimethylbenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 84657275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).