[(E)-3-phenylbut-2-en-2-yl]benzene

C16H16 — CID 5354163

IUPAC[(E)-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b14-13+
InChIKeyATYQGOFMEQUNMJ-BUHFOSPRSA-N
MW208.30 g/mol
LogP4.64
Rot. Bonds2

About [(E)-3-phenylbut-2-en-2-yl]benzene

[(E)-3-phenylbut-2-en-2-yl]benzene (PubChem CID 5354163) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is [(E)-3-phenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-3-phenylbut-2-en-2-yl]benzene
PubChem CID5354163
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name[(E)-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b14-13+
InChIKeyATYQGOFMEQUNMJ-BUHFOSPRSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylbut-2-en-2-yl]benzene?
The IUPAC name of [(E)-3-phenylbut-2-en-2-yl]benzene (CID 5354163) is [(E)-3-phenylbut-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-3-phenylbut-2-en-2-yl]benzene?
The canonical SMILES for [(E)-3-phenylbut-2-en-2-yl]benzene is C/C(=C(/C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-phenylbut-2-en-2-yl]benzene?
The InChIKey is ATYQGOFMEQUNMJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H16/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b14-13+.
What are the key properties of [(E)-3-phenylbut-2-en-2-yl]benzene?
[(E)-3-phenylbut-2-en-2-yl]benzene has a molecular weight of 208.30 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 5354163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).