1,2-ditert-butyl-4-methoxy-5-methylbenzene

C16H26O — CID 90688741

IUPAC1,2-ditert-butyl-4-methoxy-5-methylbenzene
SMILESCOc1cc(C(C)(C)C)c(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-11-9-12(15(2,3)4)13(16(5,6)7)10-14(11)17-8/h9-10H,1-8H3
InChIKeyNJJCFZWPFUHHER-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.60
Rot. Bonds1

About 1,2-ditert-butyl-4-methoxy-5-methylbenzene

1,2-ditert-butyl-4-methoxy-5-methylbenzene (PubChem CID 90688741) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1,2-ditert-butyl-4-methoxy-5-methylbenzene
PubChem CID90688741
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1,2-ditert-butyl-4-methoxy-5-methylbenzene
SMILESCOc1cc(C(C)(C)C)c(C(C)(C)C)cc1C
InChIInChI=1S/C16H26O/c1-11-9-12(15(2,3)4)13(16(5,6)7)10-14(11)17-8/h9-10H,1-8H3
InChIKeyNJJCFZWPFUHHER-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
1-tert-butyl-2-methoxy-5-methyl-4-methylsulfonylbenzene
CID 155748000
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-methoxy-5-methylbenzene?
The IUPAC name of 1,2-ditert-butyl-4-methoxy-5-methylbenzene (CID 90688741) is 1,2-ditert-butyl-4-methoxy-5-methylbenzene.
What is the SMILES notation for 1,2-ditert-butyl-4-methoxy-5-methylbenzene?
The canonical SMILES for 1,2-ditert-butyl-4-methoxy-5-methylbenzene is COc1cc(C(C)(C)C)c(C(C)(C)C)cc1C.
What is the InChIKey of 1,2-ditert-butyl-4-methoxy-5-methylbenzene?
The InChIKey is NJJCFZWPFUHHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11-9-12(15(2,3)4)13(16(5,6)7)10-14(11)17-8/h9-10H,1-8H3.
What are the key properties of 1,2-ditert-butyl-4-methoxy-5-methylbenzene?
1,2-ditert-butyl-4-methoxy-5-methylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-methoxy-5-methylbenzene is sourced from PubChem (CID 90688741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).