(3E)-3-benzylidene-1,2-dihydroindene

C16H14 — CID 6068719

IUPAC(3E)-3-benzylidene-1,2-dihydroindene
SMILESC(=C1\CCc2ccccc21)\c1ccccc1
InChIInChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,12H,10-11H2/b15-12+
InChIKeyQTWIKOMWVWPBRX-NTCAYCPXSA-N
MW206.29 g/mol
LogP4.17
Rot. Bonds1

About (3E)-3-benzylidene-1,2-dihydroindene

(3E)-3-benzylidene-1,2-dihydroindene (PubChem CID 6068719) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3E)-3-benzylidene-1,2-dihydroindene.

Molecular Properties

Compound Name(3E)-3-benzylidene-1,2-dihydroindene
PubChem CID6068719
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name(3E)-3-benzylidene-1,2-dihydroindene
SMILESC(=C1\CCc2ccccc21)\c1ccccc1
InChIInChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,12H,10-11H2/b15-12+
InChIKeyQTWIKOMWVWPBRX-NTCAYCPXSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.17
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 (3E)-3-benzylidene-1,2-dihydroindene?
The IUPAC name of (3E)-3-benzylidene-1,2-dihydroindene (CID 6068719) is (3E)-3-benzylidene-1,2-dihydroindene.
What is the SMILES notation for (3E)-3-benzylidene-1,2-dihydroindene?
The canonical SMILES for (3E)-3-benzylidene-1,2-dihydroindene is C(=C1\CCc2ccccc21)\c1ccccc1.
What is the InChIKey of (3E)-3-benzylidene-1,2-dihydroindene?
The InChIKey is QTWIKOMWVWPBRX-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,12H,10-11H2/b15-12+.
What are the key properties of (3E)-3-benzylidene-1,2-dihydroindene?
(3E)-3-benzylidene-1,2-dihydroindene has a molecular weight of 206.29 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-1,2-dihydroindene is sourced from PubChem (CID 6068719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).