2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan

C19H16O — CID 139920543

IUPAC2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
SMILESC(=C/c1cccc(Cc2ccco2)c1)\c1ccccc1
InChIInChI=1S/C19H16O/c1-2-6-16(7-3-1)11-12-17-8-4-9-18(14-17)15-19-10-5-13-20-19/h1-14H,15H2/b12-11+
InChIKeyMCHYSJMXXMDOCB-VAWYXSNFSA-N
MW260.34 g/mol
LogP5.04
Rot. Bonds4

About 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan

2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan (PubChem CID 139920543) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan.

Molecular Properties

Compound Name2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
PubChem CID139920543
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
SMILESC(=C/c1cccc(Cc2ccco2)c1)\c1ccccc1
InChIInChI=1S/C19H16O/c1-2-6-16(7-3-1)11-12-17-8-4-9-18(14-17)15-19-10-5-13-20-19/h1-14H,15H2/b12-11+
InChIKeyMCHYSJMXXMDOCB-VAWYXSNFSA-N
XLogP5.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan?
The IUPAC name of 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan (CID 139920543) is 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan.
What is the SMILES notation for 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan?
The canonical SMILES for 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan is C(=C/c1cccc(Cc2ccco2)c1)\c1ccccc1.
What is the InChIKey of 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan?
The InChIKey is MCHYSJMXXMDOCB-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16O/c1-2-6-16(7-3-1)11-12-17-8-4-9-18(14-17)15-19-10-5-13-20-19/h1-14H,15H2/b12-11+.
What are the key properties of 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan?
2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan has a molecular weight of 260.34 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan is sourced from PubChem (CID 139920543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).