2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran

C20H20O2 — CID 143231057

IUPAC2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran
SMILESC/C=C(\C)c1cc2cccc(OC(C)c3ccccc3)c2o1
InChIInChI=1S/C20H20O2/c1-4-14(2)19-13-17-11-8-12-18(20(17)22-19)21-15(3)16-9-6-5-7-10-16/h4-13,15H,1-3H3/b14-4+
InChIKeyXDPCIEZNZFCFOC-LNKIKWGQSA-N
MW292.38 g/mol
LogP6.00
Rot. Bonds4

About 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran

2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran (PubChem CID 143231057) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran
PubChem CID143231057
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran
SMILESC/C=C(\C)c1cc2cccc(OC(C)c3ccccc3)c2o1
InChIInChI=1S/C20H20O2/c1-4-14(2)19-13-17-11-8-12-18(20(17)22-19)21-15(3)16-9-6-5-7-10-16/h4-13,15H,1-3H3/b14-4+
InChIKeyXDPCIEZNZFCFOC-LNKIKWGQSA-N
XLogP6.00
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran (CID 143231057) is 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran is C/C=C(\C)c1cc2cccc(OC(C)c3ccccc3)c2o1.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran?
The InChIKey is XDPCIEZNZFCFOC-LNKIKWGQSA-N. The full InChI is InChI=1S/C20H20O2/c1-4-14(2)19-13-17-11-8-12-18(20(17)22-19)21-15(3)16-9-6-5-7-10-16/h4-13,15H,1-3H3/b14-4+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran?
2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran has a molecular weight of 292.38 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran is sourced from PubChem (CID 143231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).