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'}

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Related Compounds

4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
2,3-bis(hydroxymethyl)-5-methyl-6-propan-2-ylbenzene-1,4-diol
CID 59142069
4,6-dichloro-2-methyl-3-propan-2-ylphenol
CID 130033448
4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
CID 167152305
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
2-amino-3,4,5,6-tetra(propan-2-yl)phenol
CID 134347259
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565
3,6-dimethyl-4,5-di(propan-2-yl)pyridazine
CID 148912729
3-methyl-6-nitro-2,4-di(propan-2-yl)phenol
CID 23403382
2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol
CID 153325034
2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol
CID 144980912
4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol
CID 54243482

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).