1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene

C18H28O — CID 64764201

IUPAC1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28O/c1-5-14-6-10-16(11-7-14)19-17-12-8-15(9-13-17)18(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3
InChIKeyPDFOHDZWLKEJDE-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.33
Rot. Bonds3

About 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene

1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene (PubChem CID 64764201) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
PubChem CID64764201
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28O/c1-5-14-6-10-16(11-7-14)19-17-12-8-15(9-13-17)18(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3
InChIKeyPDFOHDZWLKEJDE-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
CID 64747544
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
4-(4-tert-butylphenoxy)-1-ethylpiperidine
CID 118546891
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
CID 90182760
3-(4-cyclopropyloxyphenyl)-3-methylbutan-1-amine
CID 114520455
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
CID 114520483
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene?
The IUPAC name of 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene (CID 64764201) is 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene is CCC1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene?
The InChIKey is PDFOHDZWLKEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-5-14-6-10-16(11-7-14)19-17-12-8-15(9-13-17)18(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene?
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 64764201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).