3-[(E)-2-(4-methoxyphenyl)ethenyl]furan

C13H12O2 — CID 15535136

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]furan
SMILESCOc1ccc(/C=C/c2ccoc2)cc1
InChIInChI=1S/C13H12O2/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+
InChIKeyKJEYIJKGWPDCNJ-NSCUHMNNSA-N
MW200.24 g/mol
LogP3.46
Rot. Bonds3

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan

3-[(E)-2-(4-methoxyphenyl)ethenyl]furan (PubChem CID 15535136) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]furan
PubChem CID15535136
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]furan
SMILESCOc1ccc(/C=C/c2ccoc2)cc1
InChIInChI=1S/C13H12O2/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+
InChIKeyKJEYIJKGWPDCNJ-NSCUHMNNSA-N
XLogP3.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan (CID 15535136) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan is COc1ccc(/C=C/c2ccoc2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan?
The InChIKey is KJEYIJKGWPDCNJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H12O2/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan?
3-[(E)-2-(4-methoxyphenyl)ethenyl]furan has a molecular weight of 200.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]furan is sourced from PubChem (CID 15535136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).