2-hydroxy-3,5,6-trimethylbenzoic acid

C10H12O3 — CID 23352517

IUPAC2-hydroxy-3,5,6-trimethylbenzoic acid
SMILESCc1cc(C)c(O)c(C(=O)O)c1C
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)8(7(5)3)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyCBRKFIYJSGRCLV-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.02
Rot. Bonds1

About 2-hydroxy-3,5,6-trimethylbenzoic acid

2-hydroxy-3,5,6-trimethylbenzoic acid (PubChem CID 23352517) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-hydroxy-3,5,6-trimethylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3,5,6-trimethylbenzoic acid
PubChem CID23352517
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-hydroxy-3,5,6-trimethylbenzoic acid
SMILESCc1cc(C)c(O)c(C(=O)O)c1C
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)8(7(5)3)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyCBRKFIYJSGRCLV-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

3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
CID 90345911
2-iodyl-3,5,6-trimethylbenzoic acid
CID 23357914
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
3-hydroxy-4-methylphthalic acid
CID 139814560
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3,4,6-trimethylphenol
CID 137263734
4-bromooxy-2-hydroxy-3,6-dimethylbenzoic acid
CID 177152774
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid
CID 3056891
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117329357

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5,6-trimethylbenzoic acid?
The IUPAC name of 2-hydroxy-3,5,6-trimethylbenzoic acid (CID 23352517) is 2-hydroxy-3,5,6-trimethylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3,5,6-trimethylbenzoic acid?
The canonical SMILES for 2-hydroxy-3,5,6-trimethylbenzoic acid is Cc1cc(C)c(O)c(C(=O)O)c1C.
What is the InChIKey of 2-hydroxy-3,5,6-trimethylbenzoic acid?
The InChIKey is CBRKFIYJSGRCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-4-6(2)9(11)8(7(5)3)10(12)13/h4,11H,1-3H3,(H,12,13).
What are the key properties of 2-hydroxy-3,5,6-trimethylbenzoic acid?
2-hydroxy-3,5,6-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 2-hydroxy-3,5,6-trimethylbenzoic acid is sourced from PubChem (CID 23352517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).