5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane

C23H36O2 — CID 58620495

IUPAC5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
SMILESCCCC1CCC(c2ccc(CCC3CCC(OC)CC3)cc2)CO1
InChIInChI=1S/C23H36O2/c1-3-4-23-16-13-21(17-25-23)20-11-7-18(8-12-20)5-6-19-9-14-22(24-2)15-10-19/h7-8,11-12,19,21-23H,3-6,9-10,13-17H2,1-2H3
InChIKeyFHZQVPALLJXFND-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.89
Rot. Bonds7

About 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane

5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane (PubChem CID 58620495) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane.

Molecular Properties

Compound Name5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
PubChem CID58620495
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
SMILESCCCC1CCC(c2ccc(CCC3CCC(OC)CC3)cc2)CO1
InChIInChI=1S/C23H36O2/c1-3-4-23-16-13-21(17-25-23)20-11-7-18(8-12-20)5-6-19-9-14-22(24-2)15-10-19/h7-8,11-12,19,21-23H,3-6,9-10,13-17H2,1-2H3
InChIKeyFHZQVPALLJXFND-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
CID 143210105
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
CID 58620522
5-(4-methylphenyl)-2-propyloxane
CID 21247988
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
CID 58620526
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
CID 58620567

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane?
The IUPAC name of 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane (CID 58620495) is 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane.
What is the SMILES notation for 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane?
The canonical SMILES for 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane is CCCC1CCC(c2ccc(CCC3CCC(OC)CC3)cc2)CO1.
What is the InChIKey of 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane?
The InChIKey is FHZQVPALLJXFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-23-16-13-21(17-25-23)20-11-7-18(8-12-20)5-6-19-9-14-22(24-2)15-10-19/h7-8,11-12,19,21-23H,3-6,9-10,13-17H2,1-2H3.
What are the key properties of 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane?
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane has a molecular weight of 344.54 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane is sourced from PubChem (CID 58620495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).