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

C16H16 — CID 10375808

IUPAC[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
SMILES[2H]C(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+/i14D
InChIKeyNJJOGKAVAWZLAU-PACWSCCHSA-N
MW209.31 g/mol
LogP4.33
Rot. Bonds4

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

[(E)-1-deuterio-4-phenylbut-3-enyl]benzene (PubChem CID 10375808) has the molecular formula C16H16 and a molecular weight of 209.31 g/mol. Its IUPAC name is [(E)-1-deuterio-4-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
PubChem CID10375808
Molecular FormulaC16H16
Molecular Weight209.31 g/mol
Exact Mass209.13
IUPAC Name[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
SMILES[2H]C(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+/i14D
InChIKeyNJJOGKAVAWZLAU-PACWSCCHSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-phenylbut-3-enoxy)ethylbenzene
CID 175183681
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(E)-5-phenylpent-4-enal
CID 11105652
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
benzyl-diethyl-(5-phenylpent-4-enyl)azanium chloride
CID 141163578
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278

Frequently Asked Questions

What is the IUPAC name of [(E)-1-deuterio-4-phenylbut-3-enyl]benzene?
The IUPAC name of [(E)-1-deuterio-4-phenylbut-3-enyl]benzene (CID 10375808) is [(E)-1-deuterio-4-phenylbut-3-enyl]benzene.
What is the SMILES notation for [(E)-1-deuterio-4-phenylbut-3-enyl]benzene?
The canonical SMILES for [(E)-1-deuterio-4-phenylbut-3-enyl]benzene is [2H]C(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-deuterio-4-phenylbut-3-enyl]benzene?
The InChIKey is NJJOGKAVAWZLAU-PACWSCCHSA-N. The full InChI is InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+/i14D.
What are the key properties of [(E)-1-deuterio-4-phenylbut-3-enyl]benzene?
[(E)-1-deuterio-4-phenylbut-3-enyl]benzene has a molecular weight of 209.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-deuterio-4-phenylbut-3-enyl]benzene is sourced from PubChem (CID 10375808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).