(1E)-1-benzylideneindene

C16H12 — CID 5354120

IUPAC(1E)-1-benzylideneindene
SMILESC1=Cc2ccccc2/C1=C/c1ccccc1
InChIInChI=1S/C16H12/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-12H/b15-12+
InChIKeySJWIOZSGMUJDFJ-NTCAYCPXSA-N
MW204.27 g/mol
LogP4.25
Rot. Bonds1

About (1E)-1-benzylideneindene

(1E)-1-benzylideneindene (PubChem CID 5354120) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1E)-1-benzylideneindene.

Molecular Properties

Compound Name(1E)-1-benzylideneindene
PubChem CID5354120
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name(1E)-1-benzylideneindene
SMILESC1=Cc2ccccc2/C1=C/c1ccccc1
InChIInChI=1S/C16H12/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-12H/b15-12+
InChIKeySJWIOZSGMUJDFJ-NTCAYCPXSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.25
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 (1E)-1-benzylideneindene?
The IUPAC name of (1E)-1-benzylideneindene (CID 5354120) is (1E)-1-benzylideneindene.
What is the SMILES notation for (1E)-1-benzylideneindene?
The canonical SMILES for (1E)-1-benzylideneindene is C1=Cc2ccccc2/C1=C/c1ccccc1.
What is the InChIKey of (1E)-1-benzylideneindene?
The InChIKey is SJWIOZSGMUJDFJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H12/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-12H/b15-12+.
What are the key properties of (1E)-1-benzylideneindene?
(1E)-1-benzylideneindene has a molecular weight of 204.27 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-benzylideneindene is sourced from PubChem (CID 5354120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).