[(E)-4-phenylbut-2-enyl]benzene

C16H16 — CID 5370638

IUPAC[(E)-4-phenylbut-2-enyl]benzene
SMILESC(=C/Cc1ccccc1)\Cc1ccccc1
InChIInChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+
InChIKeyCTYOBVWQEXIGRQ-BQYQJAHWSA-N
MW208.30 g/mol
LogP4.03
Rot. Bonds4

About [(E)-4-phenylbut-2-enyl]benzene

[(E)-4-phenylbut-2-enyl]benzene (PubChem CID 5370638) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is [(E)-4-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-phenylbut-2-enyl]benzene
PubChem CID5370638
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name[(E)-4-phenylbut-2-enyl]benzene
SMILESC(=C/Cc1ccccc1)\Cc1ccccc1
InChIInChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+
InChIKeyCTYOBVWQEXIGRQ-BQYQJAHWSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylbut-2-enyl]benzene?
The IUPAC name of [(E)-4-phenylbut-2-enyl]benzene (CID 5370638) is [(E)-4-phenylbut-2-enyl]benzene.
What is the SMILES notation for [(E)-4-phenylbut-2-enyl]benzene?
The canonical SMILES for [(E)-4-phenylbut-2-enyl]benzene is C(=C/Cc1ccccc1)\Cc1ccccc1.
What is the InChIKey of [(E)-4-phenylbut-2-enyl]benzene?
The InChIKey is CTYOBVWQEXIGRQ-BQYQJAHWSA-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/h1-12H,13-14H2/b8-7+.
What are the key properties of [(E)-4-phenylbut-2-enyl]benzene?
[(E)-4-phenylbut-2-enyl]benzene has a molecular weight of 208.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylbut-2-enyl]benzene is sourced from PubChem (CID 5370638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).