5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane

C23H36O2 — CID 58620522

IUPAC5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
SMILESCCCc1ccc(CCC2CCC(C3CCC(OC)CC3)CO2)cc1
InChIInChI=1S/C23H36O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h5-8,20-23H,3-4,9-17H2,1-2H3
InChIKeyKRZUKOKEWMQYHA-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.57
Rot. Bonds7

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

5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane (PubChem CID 58620522) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
PubChem CID58620522
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
SMILESCCCc1ccc(CCC2CCC(C3CCC(OC)CC3)CO2)cc1
InChIInChI=1S/C23H36O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h5-8,20-23H,3-4,9-17H2,1-2H3
InChIKeyKRZUKOKEWMQYHA-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
CID 143210053
2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
CID 143210105
5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
5-(4-methoxycyclohexyl)-2-propyloxane;4,5,6-trifluoro-7-propyl-9H-xanthene-3-carbaldehyde
CID 144734076
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane?
The IUPAC name of 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane (CID 58620522) is 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane?
The canonical SMILES for 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane is CCCc1ccc(CCC2CCC(C3CCC(OC)CC3)CO2)cc1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane?
The InChIKey is KRZUKOKEWMQYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-18-5-7-19(8-6-18)9-13-23-16-12-21(17-25-23)20-10-14-22(24-2)15-11-20/h5-8,20-23H,3-4,9-17H2,1-2H3.
What are the key properties of 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane?
5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane has a molecular weight of 344.54 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane is sourced from PubChem (CID 58620522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).