1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene

C26H36O — CID 20677014

IUPAC1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
SMILESCCCCCc1ccc(Oc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C26H36O/c1-3-5-6-8-22-11-17-25(18-12-22)27-26-19-15-24(16-20-26)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3
InChIKeyUKTDCZNFYRUAIG-UHFFFAOYSA-N
MW364.57 g/mol
LogP8.29
Rot. Bonds9

About 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene

1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene (PubChem CID 20677014) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene.

Molecular Properties

Compound Name1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
PubChem CID20677014
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
SMILESCCCCCc1ccc(Oc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C26H36O/c1-3-5-6-8-22-11-17-25(18-12-22)27-26-19-15-24(16-20-26)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3
InChIKeyUKTDCZNFYRUAIG-UHFFFAOYSA-N
XLogP8.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The IUPAC name of 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene (CID 20677014) is 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene.
What is the SMILES notation for 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The canonical SMILES for 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene is CCCCCc1ccc(Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.
What is the InChIKey of 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The InChIKey is UKTDCZNFYRUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-3-5-6-8-22-11-17-25(18-12-22)27-26-19-15-24(16-20-26)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3.
What are the key properties of 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene has a molecular weight of 364.57 g/mol, XLogP of 8.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene is sourced from PubChem (CID 20677014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).