1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane

C25H32 — CID 86012502

IUPAC1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane
SMILESCCCc1ccc(-c2ccc(C34CCC(CC)(CC3)CC4)cc2)cc1
InChIInChI=1S/C25H32/c1-3-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)25-17-14-24(4-2,15-18-25)16-19-25/h6-13H,3-5,14-19H2,1-2H3
InChIKeyBYMFOOVNPQEQQD-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.31
Rot. Bonds5

About 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane

1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane (PubChem CID 86012502) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane
PubChem CID86012502
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane
SMILESCCCc1ccc(-c2ccc(C34CCC(CC)(CC3)CC4)cc2)cc1
InChIInChI=1S/C25H32/c1-3-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)25-17-14-24(4-2,15-18-25)16-19-25/h6-13H,3-5,14-19H2,1-2H3
InChIKeyBYMFOOVNPQEQQD-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 16687083
CID 16687083
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol
CID 162620984
1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane
CID 10527287
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
4-propyl-1-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 18643171
1-(4-butylphenyl)-4-[2-(4-butylphenyl)ethynyl]bicyclo[2.2.2]octane
CID 19985019
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane (CID 86012502) is 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane is CCCc1ccc(-c2ccc(C34CCC(CC)(CC3)CC4)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane?
The InChIKey is BYMFOOVNPQEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-3-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)25-17-14-24(4-2,15-18-25)16-19-25/h6-13H,3-5,14-19H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane?
1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane has a molecular weight of 332.53 g/mol, XLogP of 7.31, 5 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-propylphenyl)phenyl]bicyclo[2.2.2]octane is sourced from PubChem (CID 86012502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).