2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane

C23H36O2 — CID 58620526

IUPAC2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
SMILESCCCc1ccc(C2CCC(CCC3CCC(OC)OC3)CC2)cc1
InChIInChI=1S/C23H36O2/c1-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(24-2)25-17-20/h7-8,12-13,19-20,22-23H,3-6,9-11,14-17H2,1-2H3
InChIKeyCWKTYQXBQYQITG-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.09
Rot. Bonds7

About 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane

2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane (PubChem CID 58620526) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane.

Molecular Properties

Compound Name2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
PubChem CID58620526
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
SMILESCCCc1ccc(C2CCC(CCC3CCC(OC)OC3)CC2)cc1
InChIInChI=1S/C23H36O2/c1-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(24-2)25-17-20/h7-8,12-13,19-20,22-23H,3-6,9-11,14-17H2,1-2H3
InChIKeyCWKTYQXBQYQITG-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane?
The IUPAC name of 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane (CID 58620526) is 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane.
What is the SMILES notation for 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane?
The canonical SMILES for 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane is CCCc1ccc(C2CCC(CCC3CCC(OC)OC3)CC2)cc1.
What is the InChIKey of 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane?
The InChIKey is CWKTYQXBQYQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(24-2)25-17-20/h7-8,12-13,19-20,22-23H,3-6,9-11,14-17H2,1-2H3.
What are the key properties of 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane?
2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane has a molecular weight of 344.54 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane is sourced from PubChem (CID 58620526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).