3-phenylbut-3-enylbenzene

C16H16 — CID 519286

IUPAC3-phenylbut-3-enylbenzene
SMILESC=C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2
InChIKeyPWSZACWUDDFZMQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.33
Rot. Bonds4

About 3-phenylbut-3-enylbenzene

3-phenylbut-3-enylbenzene (PubChem CID 519286) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-phenylbut-3-enylbenzene.

Molecular Properties

Compound Name3-phenylbut-3-enylbenzene
PubChem CID519286
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3-phenylbut-3-enylbenzene
SMILESC=C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2
InChIKeyPWSZACWUDDFZMQ-UHFFFAOYSA-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 ≤ 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 3-phenylbut-3-enylbenzene?
The IUPAC name of 3-phenylbut-3-enylbenzene (CID 519286) is 3-phenylbut-3-enylbenzene.
What is the SMILES notation for 3-phenylbut-3-enylbenzene?
The canonical SMILES for 3-phenylbut-3-enylbenzene is C=C(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenylbut-3-enylbenzene?
The InChIKey is PWSZACWUDDFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2.
What are the key properties of 3-phenylbut-3-enylbenzene?
3-phenylbut-3-enylbenzene has a molecular weight of 208.30 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 3-phenylbut-3-enylbenzene is sourced from PubChem (CID 519286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).