1-tert-butyl-4-methoxy-2,5-dimethylbenzene

C13H20O — CID 23345325

IUPAC1-tert-butyl-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(C(C)(C)C)cc1C
InChIInChI=1S/C13H20O/c1-9-8-12(14-6)10(2)7-11(9)13(3,4)5/h7-8H,1-6H3
InChIKeyGLSGSQHIRQZWBL-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.61
Rot. Bonds1

About 1-tert-butyl-4-methoxy-2,5-dimethylbenzene

1-tert-butyl-4-methoxy-2,5-dimethylbenzene (PubChem CID 23345325) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methoxy-2,5-dimethylbenzene
PubChem CID23345325
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-tert-butyl-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(C(C)(C)C)cc1C
InChIInChI=1S/C13H20O/c1-9-8-12(14-6)10(2)7-11(9)13(3,4)5/h7-8H,1-6H3
InChIKeyGLSGSQHIRQZWBL-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
CID 116839527
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
CID 114866082
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-tert-butyl-4-methoxy-2,5-dimethylbenzene (CID 23345325) is 1-tert-butyl-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-4-methoxy-2,5-dimethylbenzene is COc1cc(C)c(C(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-4-methoxy-2,5-dimethylbenzene?
The InChIKey is GLSGSQHIRQZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-8-12(14-6)10(2)7-11(9)13(3,4)5/h7-8H,1-6H3.
What are the key properties of 1-tert-butyl-4-methoxy-2,5-dimethylbenzene?
1-tert-butyl-4-methoxy-2,5-dimethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 23345325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).