5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane

C24H38O — CID 58620567

IUPAC5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
SMILESCCCC1CCC(CCc2ccc(C3CCC(CC)CO3)cc2)CC1
InChIInChI=1S/C24H38O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25-24/h12-13,15-16,19-21,24H,3-11,14,17-18H2,1-2H3
InChIKeyFKANGHVGBZEJAO-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.10
Rot. Bonds7

About 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane

5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane (PubChem CID 58620567) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane.

Molecular Properties

Compound Name5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
PubChem CID58620567
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
SMILESCCCC1CCC(CCc2ccc(C3CCC(CC)CO3)cc2)CC1
InChIInChI=1S/C24H38O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25-24/h12-13,15-16,19-21,24H,3-11,14,17-18H2,1-2H3
InChIKeyFKANGHVGBZEJAO-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-5-ethyloxane
CID 118909760
2-(4-heptylphenyl)-5-hexyloxane
CID 21247717
5-heptyl-2-(4-heptylphenyl)oxane
CID 21247546
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
CID 58620441
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
5-butyl-2-(4-fluorophenyl)oxane
CID 21247644
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
5-propyl-2-[4-[4-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 56627238

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane?
The IUPAC name of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane (CID 58620567) is 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane.
What is the SMILES notation for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane?
The canonical SMILES for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane is CCCC1CCC(CCc2ccc(C3CCC(CC)CO3)cc2)CC1.
What is the InChIKey of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane?
The InChIKey is FKANGHVGBZEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25-24/h12-13,15-16,19-21,24H,3-11,14,17-18H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane?
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane has a molecular weight of 342.57 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane is sourced from PubChem (CID 58620567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).