2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene

C26H42O2 — CID 54025931

IUPAC2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCOc1ccc(OCC2CCC(CCC)CC2)c(C2CCC(C)CC2)c1
InChIInChI=1S/C26H42O2/c1-4-6-21-9-11-22(12-10-21)19-28-26-16-15-24(27-17-5-2)18-25(26)23-13-7-20(3)8-14-23/h15-16,18,20-23H,4-14,17,19H2,1-3H3
InChIKeyLCDYIRRYMZGZJF-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.75
Rot. Bonds9

About 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene

2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene (PubChem CID 54025931) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene
PubChem CID54025931
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCOc1ccc(OCC2CCC(CCC)CC2)c(C2CCC(C)CC2)c1
InChIInChI=1S/C26H42O2/c1-4-6-21-9-11-22(12-10-21)19-28-26-16-15-24(27-17-5-2)18-25(26)23-13-7-20(3)8-14-23/h15-16,18,20-23H,4-14,17,19H2,1-3H3
InChIKeyLCDYIRRYMZGZJF-UHFFFAOYSA-N
XLogP7.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-heptylcyclohexyl)-4-propoxyphenyl]-5-propyl-1,3-dioxane
CID 57159150
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
5-butyl-2-[2-(4-heptylcyclohexyl)-4-propoxyphenyl]-1,3-dioxane
CID 57067189
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
1-butoxy-4-[4-(4-butylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-butoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-pentoxybenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propoxybenzene
CID 162258133
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene?
The IUPAC name of 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene (CID 54025931) is 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene?
The canonical SMILES for 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene is CCCOc1ccc(OCC2CCC(CCC)CC2)c(C2CCC(C)CC2)c1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene?
The InChIKey is LCDYIRRYMZGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-4-6-21-9-11-22(12-10-21)19-28-26-16-15-24(27-17-5-2)18-25(26)23-13-7-20(3)8-14-23/h15-16,18,20-23H,4-14,17,19H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene?
2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene has a molecular weight of 386.62 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 54025931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).