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

C18H24O4 — CID 87406815

IUPAC2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.Cc1cc(O)c(C)c(C)c1O
InChIInChI=1S/2C9H12O2/c2*1-5-4-8(10)6(2)7(3)9(5)11/h2*4,10-11H,1-3H3
InChIKeyAFPHZHOLGGVOFO-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.05
Rot. Bonds

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

2,3,5-trimethylbenzene-1,4-diol (PubChem CID 87406815) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,3,5-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-trimethylbenzene-1,4-diol
PubChem CID87406815
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.Cc1cc(O)c(C)c(C)c1O
InChIInChI=1S/2C9H12O2/c2*1-5-4-8(10)6(2)7(3)9(5)11/h2*4,10-11H,1-3H3
InChIKeyAFPHZHOLGGVOFO-UHFFFAOYSA-N
XLogP4.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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 87406815) 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.Cc1cc(O)c(C)c(C)c1O.
What is the InChIKey of 2,3,5-trimethylbenzene-1,4-diol?
The InChIKey is AFPHZHOLGGVOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O2/c2*1-5-4-8(10)6(2)7(3)9(5)11/h2*4,10-11H,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 304.39 g/mol, XLogP of 4.05, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylbenzene-1,4-diol is sourced from PubChem (CID 87406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).