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

C25H34 — CID 630553

IUPAC1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h8-9,12-13,16-19,21,23H,3-7,10-11,14-15H2,1-2H3
InChIKeyJOLGXBQYTARJLD-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.77
Rot. Bonds7

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

1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 630553) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID630553
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C25H34/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h8-9,12-13,16-19,21,23H,3-7,10-11,14-15H2,1-2H3
InChIKeyJOLGXBQYTARJLD-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 630553) is 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is JOLGXBQYTARJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h8-9,12-13,16-19,21,23H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
1-ethyl-4-[4-(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-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 630553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).