1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene

C18H22O2 — CID 145340247

IUPAC1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
SMILESCCC(C)(C)Oc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O2/c1-5-18(3,4)20-17-12-10-16(11-13-17)19-15-8-6-14(2)7-9-15/h6-13H,5H2,1-4H3
InChIKeyKHXNJHAYJIWFDZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.35
Rot. Bonds5

About 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene

1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene (PubChem CID 145340247) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
PubChem CID145340247
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
SMILESCCC(C)(C)Oc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O2/c1-5-18(3,4)20-17-12-10-16(11-13-17)19-15-8-6-14(2)7-9-15/h6-13H,5H2,1-4H3
InChIKeyKHXNJHAYJIWFDZ-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
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
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene?
The IUPAC name of 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene (CID 145340247) is 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene is CCC(C)(C)Oc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene?
The InChIKey is KHXNJHAYJIWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-18(3,4)20-17-12-10-16(11-13-17)19-15-8-6-14(2)7-9-15/h6-13H,5H2,1-4H3.
What are the key properties of 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene?
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene has a molecular weight of 270.37 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene is sourced from PubChem (CID 145340247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).