2-hexyl-3,5,6-trimethylbenzene-1,4-diol

C15H24O2 — CID 54410665

IUPAC2-hexyl-3,5,6-trimethylbenzene-1,4-diol
SMILESCCCCCCc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-13-12(4)14(16)10(2)11(3)15(13)17/h16-17H,5-9H2,1-4H3
InChIKeyVTWUYWVCIJXCTO-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.15
Rot. Bonds5

About 2-hexyl-3,5,6-trimethylbenzene-1,4-diol

2-hexyl-3,5,6-trimethylbenzene-1,4-diol (PubChem CID 54410665) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-hexyl-3,5,6-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-hexyl-3,5,6-trimethylbenzene-1,4-diol
PubChem CID54410665
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-hexyl-3,5,6-trimethylbenzene-1,4-diol
SMILESCCCCCCc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-13-12(4)14(16)10(2)11(3)15(13)17/h16-17H,5-9H2,1-4H3
InChIKeyVTWUYWVCIJXCTO-UHFFFAOYSA-N
XLogP4.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3,5,6-trimethylbenzene-1,4-diol?
The IUPAC name of 2-hexyl-3,5,6-trimethylbenzene-1,4-diol (CID 54410665) is 2-hexyl-3,5,6-trimethylbenzene-1,4-diol.
What is the SMILES notation for 2-hexyl-3,5,6-trimethylbenzene-1,4-diol?
The canonical SMILES for 2-hexyl-3,5,6-trimethylbenzene-1,4-diol is CCCCCCc1c(C)c(O)c(C)c(C)c1O.
What is the InChIKey of 2-hexyl-3,5,6-trimethylbenzene-1,4-diol?
The InChIKey is VTWUYWVCIJXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-7-8-9-13-12(4)14(16)10(2)11(3)15(13)17/h16-17H,5-9H2,1-4H3.
What are the key properties of 2-hexyl-3,5,6-trimethylbenzene-1,4-diol?
2-hexyl-3,5,6-trimethylbenzene-1,4-diol has a molecular weight of 236.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3,5,6-trimethylbenzene-1,4-diol is sourced from PubChem (CID 54410665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).