1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene

C21H26 — CID 22991602

IUPAC1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H26/c1-3-5-7-19-10-14-21(15-11-19)17-16-20-12-8-18(6-4-2)9-13-20/h5,7-15H,3-4,6,16-17H2,1-2H3/b7-5+
InChIKeyYMUMVYNADSMPOJ-FNORWQNLSA-N
MW278.44 g/mol
LogP5.85
Rot. Bonds7

About 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene

1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 22991602) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID22991602
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H26/c1-3-5-7-19-10-14-21(15-11-19)17-16-20-12-8-18(6-4-2)9-13-20/h5,7-15H,3-4,6,16-17H2,1-2H3/b7-5+
InChIKeyYMUMVYNADSMPOJ-FNORWQNLSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
4-propylthiobenzaldehyde
CID 19091704
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075
methanol;(E)-3-(4-propylphenyl)prop-2-enal
CID 143472715
benzene;but-1-enylbenzene
CID 157481332
1-decyl-4-hept-1-enylbenzene
CID 173045869
1-[(E)-but-1-enyl]-4-[4-(4-ethylphenyl)buta-1,3-diynyl]benzene
CID 101248325
1-[(E)-but-1-enyl]-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787862
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene (CID 22991602) is 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene is CC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is YMUMVYNADSMPOJ-FNORWQNLSA-N. The full InChI is InChI=1S/C21H26/c1-3-5-7-19-10-14-21(15-11-19)17-16-20-12-8-18(6-4-2)9-13-20/h5,7-15H,3-4,6,16-17H2,1-2H3/b7-5+.
What are the key properties of 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 278.44 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 22991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).