1-methyl-4-(2-methylbutan-2-yloxy)benzene

C12H18O — CID 572689

IUPAC1-methyl-4-(2-methylbutan-2-yloxy)benzene
SMILESCCC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3
InChIKeyMDRFVCLEEREFFP-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.56
Rot. Bonds3

About 1-methyl-4-(2-methylbutan-2-yloxy)benzene

1-methyl-4-(2-methylbutan-2-yloxy)benzene (PubChem CID 572689) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylbutan-2-yloxy)benzene
PubChem CID572689
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-methyl-4-(2-methylbutan-2-yloxy)benzene
SMILESCCC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C12H18O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3
InChIKeyMDRFVCLEEREFFP-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
1-(4-iodo-2,4-dimethylpentan-2-yl)oxy-4-methylbenzene
CID 126490434
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
1-methyl-4-(2-methylpent-4-en-2-yloxy)benzene
CID 123423691
2-methyl-4-(2-methylbutan-2-yloxy)aniline
CID 43436413
5-(2-methylbutan-2-yloxy)-2-[5-(2-methylbutan-2-yloxy)-2-pyridinyl]pyridine
CID 69024589
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbutan-2-yloxy)benzene?
The IUPAC name of 1-methyl-4-(2-methylbutan-2-yloxy)benzene (CID 572689) is 1-methyl-4-(2-methylbutan-2-yloxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylbutan-2-yloxy)benzene?
The canonical SMILES for 1-methyl-4-(2-methylbutan-2-yloxy)benzene is CCC(C)(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylbutan-2-yloxy)benzene?
The InChIKey is MDRFVCLEEREFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylbutan-2-yloxy)benzene?
1-methyl-4-(2-methylbutan-2-yloxy)benzene has a molecular weight of 178.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbutan-2-yloxy)benzene is sourced from PubChem (CID 572689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).