1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene

C17H18 — CID 102140920

IUPAC1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
SMILESCc1cccc(/C=C/CCc2ccccc2)c1
InChIInChI=1S/C17H18/c1-15-8-7-13-17(14-15)12-6-5-11-16-9-3-2-4-10-16/h2-4,6-10,12-14H,5,11H2,1H3/b12-6+
InChIKeyNIWYLTUYRAPOKB-WUXMJOGZSA-N
MW222.33 g/mol
LogP4.64
Rot. Bonds4

About 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene

1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene (PubChem CID 102140920) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
PubChem CID102140920
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
SMILESCc1cccc(/C=C/CCc2ccccc2)c1
InChIInChI=1S/C17H18/c1-15-8-7-13-17(14-15)12-6-5-11-16-9-3-2-4-10-16/h2-4,6-10,12-14H,5,11H2,1H3/b12-6+
InChIKeyNIWYLTUYRAPOKB-WUXMJOGZSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(E)-4-(3-methylphenyl)but-1-enyl]-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 139397522
1-methyl-3-pent-1-enylbenzene
CID 54093666
4-[(E)-4-phenylbut-1-enyl]benzene-1,2-diol
CID 19968506
ethane;1-[(E)-4-methoxybut-1-enyl]-3-methylbenzene
CID 143867253
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
CID 143867256
[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
CID 174283002
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257
1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174285880

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene?
The IUPAC name of 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene (CID 102140920) is 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene is Cc1cccc(/C=C/CCc2ccccc2)c1.
What is the InChIKey of 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene?
The InChIKey is NIWYLTUYRAPOKB-WUXMJOGZSA-N. The full InChI is InChI=1S/C17H18/c1-15-8-7-13-17(14-15)12-6-5-11-16-9-3-2-4-10-16/h2-4,6-10,12-14H,5,11H2,1H3/b12-6+.
What are the key properties of 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene?
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene is sourced from PubChem (CID 102140920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).