1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene

C31H38 — CID 20654382

IUPAC1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H38/c1-3-5-6-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(4-2)9-13-26/h8-9,12-13,16-23,25,27H,3-7,10-11,14-15H2,1-2H3
InChIKeyAOXSJIHFKSOSOP-UHFFFAOYSA-N
MW410.65 g/mol
LogP9.44
Rot. Bonds8

About 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene

1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene (PubChem CID 20654382) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
PubChem CID20654382
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H38/c1-3-5-6-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(4-2)9-13-26/h8-9,12-13,16-23,25,27H,3-7,10-11,14-15H2,1-2H3
InChIKeyAOXSJIHFKSOSOP-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
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-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene (CID 20654382) is 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)cc4)cc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene?
The InChIKey is AOXSJIHFKSOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38/c1-3-5-6-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(4-2)9-13-26/h8-9,12-13,16-23,25,27H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene?
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene has a molecular weight of 410.65 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene is sourced from PubChem (CID 20654382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).