2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol

C16H26O2 — CID 139946373

IUPAC2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
SMILESCc1c(O)c(C(C)C)c(C(C)C)c(O)c1C(C)C
InChIInChI=1S/C16H26O2/c1-8(2)12-11(7)15(17)13(9(3)4)14(10(5)6)16(12)18/h8-10,17-18H,1-7H3
InChIKeyZGEQKALLFODIED-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.78
Rot. Bonds3

About 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol

2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol (PubChem CID 139946373) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
PubChem CID139946373
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
SMILESCc1c(O)c(C(C)C)c(C(C)C)c(O)c1C(C)C
InChIInChI=1S/C16H26O2/c1-8(2)12-11(7)15(17)13(9(3)4)14(10(5)6)16(12)18/h8-10,17-18H,1-7H3
InChIKeyZGEQKALLFODIED-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol?
The IUPAC name of 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol (CID 139946373) is 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol is Cc1c(O)c(C(C)C)c(C(C)C)c(O)c1C(C)C.
What is the InChIKey of 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol?
The InChIKey is ZGEQKALLFODIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-8(2)12-11(7)15(17)13(9(3)4)14(10(5)6)16(12)18/h8-10,17-18H,1-7H3.
What are the key properties of 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol?
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol has a molecular weight of 250.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 139946373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).