1-(2-methoxy-2-methylpropyl)-4-methylbenzene

C12H18O — CID 158908797

IUPAC1-(2-methoxy-2-methylpropyl)-4-methylbenzene
SMILESCOC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-12(2,3)13-4/h5-8H,9H2,1-4H3
InChIKeyJGJOLNSIYNJSSG-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)-4-methylbenzene

1-(2-methoxy-2-methylpropyl)-4-methylbenzene (PubChem CID 158908797) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-4-methylbenzene
PubChem CID158908797
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2-methoxy-2-methylpropyl)-4-methylbenzene
SMILESCOC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-12(2,3)13-4/h5-8H,9H2,1-4H3
InChIKeyJGJOLNSIYNJSSG-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene
CID 70354396
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
2-methyl-2-[(4-methylphenyl)methyl]propane-1,3-diol
CID 54018916
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
CID 117116726
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-4-methylbenzene?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-4-methylbenzene (CID 158908797) is 1-(2-methoxy-2-methylpropyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-4-methylbenzene?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-4-methylbenzene is COC(C)(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-4-methylbenzene?
The InChIKey is JGJOLNSIYNJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-12(2,3)13-4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-4-methylbenzene?
1-(2-methoxy-2-methylpropyl)-4-methylbenzene has a molecular weight of 178.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-4-methylbenzene is sourced from PubChem (CID 158908797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).