1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene

C17H26O — CID 64763669

IUPAC1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
SMILESCCC1CCC(Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H26O/c1-4-14-9-11-15(12-10-14)18-17-8-6-5-7-16(17)13(2)3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyNPCRGBMVKYHUOG-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.16
Rot. Bonds4

About 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene

1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene (PubChem CID 64763669) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
PubChem CID64763669
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
SMILESCCC1CCC(Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H26O/c1-4-14-9-11-15(12-10-14)18-17-8-6-5-7-16(17)13(2)3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyNPCRGBMVKYHUOG-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
CID 64750411
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 43294024
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79642895
1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
CID 146621005
2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
CID 63473096
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene (CID 64763669) is 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene is CCC1CCC(Oc2ccccc2C(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene?
The InChIKey is NPCRGBMVKYHUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-14-9-11-15(12-10-14)18-17-8-6-5-7-16(17)13(2)3/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene?
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene is sourced from PubChem (CID 64763669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).