1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene

C35H44 — CID 123564323

IUPAC1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
SMILESCCCCCc1ccc(CCC2C=CC(c3ccc(-c4ccc(CCCC)cc4)cc3)CC2)cc1
InChIInChI=1S/C35H44/c1-3-5-7-9-29-10-12-30(13-11-29)14-15-31-18-22-33(23-19-31)35-26-24-34(25-27-35)32-20-16-28(17-21-32)8-6-4-2/h10-13,16-18,20-22,24-27,31,33H,3-9,14-15,19,23H2,1-2H3
InChIKeyFZWLXCBGPRAKFM-UHFFFAOYSA-N
MW464.74 g/mol
LogP10.11
Rot. Bonds12

About 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene

1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene (PubChem CID 123564323) has the molecular formula C35H44 and a molecular weight of 464.74 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
PubChem CID123564323
Molecular FormulaC35H44
Molecular Weight464.74 g/mol
Exact Mass464.34
IUPAC Name1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
SMILESCCCCCc1ccc(CCC2C=CC(c3ccc(-c4ccc(CCCC)cc4)cc3)CC2)cc1
InChIInChI=1S/C35H44/c1-3-5-7-9-29-10-12-30(13-11-29)14-15-31-18-22-33(23-19-31)35-26-24-34(25-27-35)32-20-16-28(17-21-32)8-6-4-2/h10-13,16-18,20-22,24-27,31,33H,3-9,14-15,19,23H2,1-2H3
InChIKeyFZWLXCBGPRAKFM-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
CID 123889648
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
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-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The IUPAC name of 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene (CID 123564323) is 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene is CCCCCc1ccc(CCC2C=CC(c3ccc(-c4ccc(CCCC)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The InChIKey is FZWLXCBGPRAKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44/c1-3-5-7-9-29-10-12-30(13-11-29)14-15-31-18-22-33(23-19-31)35-26-24-34(25-27-35)32-20-16-28(17-21-32)8-6-4-2/h10-13,16-18,20-22,24-27,31,33H,3-9,14-15,19,23H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene has a molecular weight of 464.74 g/mol, XLogP of 10.11, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 123564323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).