[(E)-1-phenylbut-2-en-2-yl]benzene

C16H16 — CID 6152777

IUPAC[(E)-1-phenylbut-2-en-2-yl]benzene
SMILESC/C=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h2-12H,13H2,1H3/b15-2+
InChIKeyQUQAHBQWPRYOAD-RSSMCMFDSA-N
MW208.30 g/mol
LogP4.33
Rot. Bonds3

About [(E)-1-phenylbut-2-en-2-yl]benzene

[(E)-1-phenylbut-2-en-2-yl]benzene (PubChem CID 6152777) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is [(E)-1-phenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-phenylbut-2-en-2-yl]benzene
PubChem CID6152777
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name[(E)-1-phenylbut-2-en-2-yl]benzene
SMILESC/C=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h2-12H,13H2,1H3/b15-2+
InChIKeyQUQAHBQWPRYOAD-RSSMCMFDSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylbut-2-en-2-yl]benzene?
The IUPAC name of [(E)-1-phenylbut-2-en-2-yl]benzene (CID 6152777) is [(E)-1-phenylbut-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-phenylbut-2-en-2-yl]benzene?
The canonical SMILES for [(E)-1-phenylbut-2-en-2-yl]benzene is C/C=C(\Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-phenylbut-2-en-2-yl]benzene?
The InChIKey is QUQAHBQWPRYOAD-RSSMCMFDSA-N. The full InChI is InChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h2-12H,13H2,1H3/b15-2+.
What are the key properties of [(E)-1-phenylbut-2-en-2-yl]benzene?
[(E)-1-phenylbut-2-en-2-yl]benzene has a molecular weight of 208.30 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 6152777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).