1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene

C24H28O — CID 19984146

IUPAC1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
SMILESCCOc1ccc(C#CC2CCC(c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C24H28O/c1-3-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(18-12-21)25-4-2/h7-8,11-14,17-18,20,23H,3-4,9-10,15-16H2,1-2H3
InChIKeyZDCPRCMWQAVPIZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.97
Rot. Bonds4

About 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene

1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene (PubChem CID 19984146) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
PubChem CID19984146
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
SMILESCCOc1ccc(C#CC2CCC(c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C24H28O/c1-3-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(18-12-21)25-4-2/h7-8,11-14,17-18,20,23H,3-4,9-10,15-16H2,1-2H3
InChIKeyZDCPRCMWQAVPIZ-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[2-[4-(4-ethoxyphenyl)cyclohexyl]ethynyl]benzene
CID 19985066
1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
CID 161210190
1-heptoxy-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohexyl]benzene
CID 19984502
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
CID 161210191
1-heptyl-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzene
CID 19984134
1-butyl-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluorobenzene
CID 19984920
1-methoxy-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19984230
1-butyl-4-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzene
CID 19983904
1-octyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984382
1-hexyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984884
4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluoro-1-hexylbenzene
CID 19984644

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene (CID 19984146) is 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene is CCOc1ccc(C#CC2CCC(c3ccc(CC)cc3)CC2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene?
The InChIKey is ZDCPRCMWQAVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-3-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(18-12-21)25-4-2/h7-8,11-14,17-18,20,23H,3-4,9-10,15-16H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene?
1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene has a molecular weight of 332.49 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene is sourced from PubChem (CID 19984146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).