2,3,5-trimethylbenzene-1,4-diol

C9H12O2 — CID 12785

IUPAC2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChIKeyAUFZRCJENRSRLY-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.02
Rot. Bonds

About 2,3,5-trimethylbenzene-1,4-diol

2,3,5-trimethylbenzene-1,4-diol (PubChem CID 12785) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2,3,5-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-trimethylbenzene-1,4-diol
PubChem CID12785
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChIKeyAUFZRCJENRSRLY-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Thymol
CID 6989
Tert-Butylhydroquinone
CID 16043
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
3,5-Dimethylphenol
CID 7948
2,3-Dimethylphenol
CID 10687
2,5-Di-tert-butylhydroquinone
CID 2374
Methylhydroquinone
CID 7253
1,4-Naphthalenediol
CID 11305
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
2,5-Di-t-pentylhydroquinone
CID 6610
6-tert-Butyl-m-cresol
CID 6937

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylbenzene-1,4-diol?
The IUPAC name of 2,3,5-trimethylbenzene-1,4-diol (CID 12785) is 2,3,5-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2,3,5-trimethylbenzene-1,4-diol?
The canonical SMILES for 2,3,5-trimethylbenzene-1,4-diol is Cc1cc(O)c(C)c(C)c1O.
What is the InChIKey of 2,3,5-trimethylbenzene-1,4-diol?
The InChIKey is AUFZRCJENRSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3.
What are the key properties of 2,3,5-trimethylbenzene-1,4-diol?
2,3,5-trimethylbenzene-1,4-diol has a molecular weight of 152.19 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylbenzene-1,4-diol is sourced from PubChem (CID 12785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).