1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane

C30H44O2 — CID 146482116

IUPAC1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
SMILESCCC(C)(C)Oc1ccc(C2(c3ccc(OC)cc3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C30H44O2/c1-5-29(2,3)32-28-21-17-26(18-22-28)30(25-15-19-27(31-4)20-16-25)23-13-11-9-7-6-8-10-12-14-24-30/h15-22H,5-14,23-24H2,1-4H3
InChIKeyGZFAVBPBTOZALC-UHFFFAOYSA-N
MW436.68 g/mol
LogP8.85
Rot. Bonds6

About 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane

1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane (PubChem CID 146482116) has the molecular formula C30H44O2 and a molecular weight of 436.68 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
PubChem CID146482116
Molecular FormulaC30H44O2
Molecular Weight436.68 g/mol
Exact Mass436.33
IUPAC Name1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
SMILESCCC(C)(C)Oc1ccc(C2(c3ccc(OC)cc3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C30H44O2/c1-5-29(2,3)32-28-21-17-26(18-22-28)30(25-15-19-27(31-4)20-16-25)23-13-11-9-7-6-8-10-12-14-24-30/h15-22H,5-14,23-24H2,1-4H3
InChIKeyGZFAVBPBTOZALC-UHFFFAOYSA-N
XLogP8.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-[4-(2-methylbutan-2-yloxy)phenyl]cyclohexyl]phenyl] 2,2-dimethylpentanoate
CID 155003824
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoic acid
CID 131877413
[4-[1-[4-(3-methylpentan-3-yloxy)phenyl]cyclohexyl]phenyl] 2,2-dimethylbutanoate
CID 89391826
[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
CID 58669309
2-[4-[1-(4-methylphenyl)cyclohexyl]phenoxy]butan-2-yl formate
CID 58159144
2-methyl-1-(2-methylbutan-2-yloxy)-4-[1-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]cyclohexyl]benzene
CID 139394289
[4-[1-[4-(2-methylpentan-2-yloxy)phenyl]cyclohexyl]phenyl] benzoate
CID 89026714
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane?
The IUPAC name of 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane (CID 146482116) is 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane is CCC(C)(C)Oc1ccc(C2(c3ccc(OC)cc3)CCCCCCCCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane?
The InChIKey is GZFAVBPBTOZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2/c1-5-29(2,3)32-28-21-17-26(18-22-28)30(25-15-19-27(31-4)20-16-25)23-13-11-9-7-6-8-10-12-14-24-30/h15-22H,5-14,23-24H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane?
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane has a molecular weight of 436.68 g/mol, XLogP of 8.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane is sourced from PubChem (CID 146482116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).