1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene

C23H22 — CID 176777881

IUPAC1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C23H22/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h3,5-17H,4H2,1-2H3/b5-3+
InChIKeyPVXIKFTVGMWSAF-HWKANZROSA-N
MW298.43 g/mol
LogP6.62
Rot. Bonds4

About 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene

1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene (PubChem CID 176777881) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
PubChem CID176777881
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C23H22/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h3,5-17H,4H2,1-2H3/b5-3+
InChIKeyPVXIKFTVGMWSAF-HWKANZROSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780877
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677624
1-(iodomethyl)-4-prop-1-enylbenzene
CID 76734170
(4-prop-1-enylphenyl)methanol
CID 67711719
1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677589
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene (CID 176777881) is 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene is C/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene?
The InChIKey is PVXIKFTVGMWSAF-HWKANZROSA-N. The full InChI is InChI=1S/C23H22/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h3,5-17H,4H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene?
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene has a molecular weight of 298.43 g/mol, XLogP of 6.62, 4 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-[(E)-prop-1-enyl]phenyl]phenyl]benzene is sourced from PubChem (CID 176777881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).