1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene

C25H34 — CID 154421706

IUPAC1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccccc2-c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-9-21-14-18-23(19-15-21)25-11-8-7-10-24(25)22-16-12-20(4-2)13-17-22/h7-8,10-13,16-17,21,23H,3-6,9,14-15,18-19H2,1-2H3
InChIKeyDHBUZIWNGNASJL-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.77
Rot. Bonds7

About 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene

1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 154421706) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID154421706
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccccc2-c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-9-21-14-18-23(19-15-21)25-11-8-7-10-24(25)22-16-12-20(4-2)13-17-22/h7-8,10-13,16-17,21,23H,3-6,9,14-15,18-19H2,1-2H3
InChIKeyDHBUZIWNGNASJL-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 174774005
1-ethyl-3-[2-[3-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 173257088
1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2-(4-hexylcyclohexyl)-1-phenyl-4-(trifluoromethoxy)benzene
CID 159707062
1-[2-(4-butylcyclohexyl)ethyl]-2-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 142630350

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene (CID 154421706) is 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccccc2-c2ccc(CC)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is DHBUZIWNGNASJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-6-9-21-14-18-23(19-15-21)25-11-8-7-10-24(25)22-16-12-20(4-2)13-17-22/h7-8,10-13,16-17,21,23H,3-6,9,14-15,18-19H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene?
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 334.55 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 154421706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).