1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene

C20H24 — CID 139679614

IUPAC1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
SMILESCCc1ccc(C=CC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H24/c1-4-17-8-10-19(11-9-17)7-6-16(3)20-14-12-18(5-2)13-15-20/h6-16H,4-5H2,1-3H3
InChIKeyWVAJTWFGGOULTO-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.63
Rot. Bonds5

About 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene

1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene (PubChem CID 139679614) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
PubChem CID139679614
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
SMILESCCc1ccc(C=CC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H24/c1-4-17-8-10-19(11-9-17)7-6-16(3)20-14-12-18(5-2)13-15-20/h6-16H,4-5H2,1-3H3
InChIKeyWVAJTWFGGOULTO-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
CID 177453758
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene (CID 139679614) is 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene is CCc1ccc(C=CC(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene?
The InChIKey is WVAJTWFGGOULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-4-17-8-10-19(11-9-17)7-6-16(3)20-14-12-18(5-2)13-15-20/h6-16H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene?
1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 139679614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).