3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran

C20H18O — CID 12624786

IUPAC3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
SMILESCc1cc(/C(=C\c2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C20H18O/c1-15-13-19(16(2)21-15)20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-14H,1-2H3/b20-14-
InChIKeyJQWAGPVANVQGRQ-ZHZULCJRSA-N
MW274.36 g/mol
LogP5.49
Rot. Bonds3

About 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran

3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran (PubChem CID 12624786) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
PubChem CID12624786
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
SMILESCc1cc(/C(=C\c2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C20H18O/c1-15-13-19(16(2)21-15)20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-14H,1-2H3/b20-14-
InChIKeyJQWAGPVANVQGRQ-ZHZULCJRSA-N
XLogP5.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.49
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 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran?
The IUPAC name of 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran (CID 12624786) is 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran is Cc1cc(/C(=C\c2ccccc2)c2ccccc2)c(C)o1.
What is the InChIKey of 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran?
The InChIKey is JQWAGPVANVQGRQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H18O/c1-15-13-19(16(2)21-15)20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-14H,1-2H3/b20-14-.
What are the key properties of 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran?
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran has a molecular weight of 274.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran is sourced from PubChem (CID 12624786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).