5-tert-butyl-1,3-dimethoxy-2-methylbenzene

C13H20O2 — CID 59572485

IUPAC5-tert-butyl-1,3-dimethoxy-2-methylbenzene
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C
InChIInChI=1S/C13H20O2/c1-9-11(14-5)7-10(13(2,3)4)8-12(9)15-6/h7-8H,1-6H3
InChIKeyFZIMWTKSSDJYOC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds2

About 5-tert-butyl-1,3-dimethoxy-2-methylbenzene

5-tert-butyl-1,3-dimethoxy-2-methylbenzene (PubChem CID 59572485) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethoxy-2-methylbenzene
PubChem CID59572485
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-tert-butyl-1,3-dimethoxy-2-methylbenzene
SMILESCOc1cc(C(C)(C)C)cc(OC)c1C
InChIInChI=1S/C13H20O2/c1-9-11(14-5)7-10(13(2,3)4)8-12(9)15-6/h7-8H,1-6H3
InChIKeyFZIMWTKSSDJYOC-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
11,22-bis(4-tert-butyl-2,6-dimethoxyphenyl)-8,19-dimethylhexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 132539601
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 61261520
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
(3,5-dimethoxy-4-methylphenyl)-trimethoxysilane
CID 59566599
5-(disulfanyl)-1,3-dimethoxy-2-methylbenzene
CID 123867594
5-tert-butyl-2-hydroxy-3-methoxybenzonitrile
CID 117293587
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dimethoxy-2-methylbenzene?
The IUPAC name of 5-tert-butyl-1,3-dimethoxy-2-methylbenzene (CID 59572485) is 5-tert-butyl-1,3-dimethoxy-2-methylbenzene.
What is the SMILES notation for 5-tert-butyl-1,3-dimethoxy-2-methylbenzene?
The canonical SMILES for 5-tert-butyl-1,3-dimethoxy-2-methylbenzene is COc1cc(C(C)(C)C)cc(OC)c1C.
What is the InChIKey of 5-tert-butyl-1,3-dimethoxy-2-methylbenzene?
The InChIKey is FZIMWTKSSDJYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-11(14-5)7-10(13(2,3)4)8-12(9)15-6/h7-8H,1-6H3.
What are the key properties of 5-tert-butyl-1,3-dimethoxy-2-methylbenzene?
5-tert-butyl-1,3-dimethoxy-2-methylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethoxy-2-methylbenzene is sourced from PubChem (CID 59572485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).