8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran

C17H16O — CID 153368866

IUPAC8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran
SMILESC/C=C(\C)c1ccc2oc3cccc(C)c3c2c1
InChIInChI=1S/C17H16O/c1-4-11(2)13-8-9-15-14(10-13)17-12(3)6-5-7-16(17)18-15/h4-10H,1-3H3/b11-4+
InChIKeyJGJIRYOMJYJUHS-NYYWCZLTSA-N
MW236.31 g/mol
LogP5.32
Rot. Bonds1

About 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran

8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran (PubChem CID 153368866) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran.

Molecular Properties

Compound Name8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran
PubChem CID153368866
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran
SMILESC/C=C(\C)c1ccc2oc3cccc(C)c3c2c1
InChIInChI=1S/C17H16O/c1-4-11(2)13-8-9-15-14(10-13)17-12(3)6-5-7-16(17)18-15/h4-10H,1-3H3/b11-4+
InChIKeyJGJIRYOMJYJUHS-NYYWCZLTSA-N
XLogP5.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyldibenzofuran-2-ol
CID 142343102
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-prop-1-en-2-yldibenzofuran
CID 142504770
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
CID 163980863
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran?
The IUPAC name of 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran (CID 153368866) is 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran.
What is the SMILES notation for 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran?
The canonical SMILES for 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran is C/C=C(\C)c1ccc2oc3cccc(C)c3c2c1.
What is the InChIKey of 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran?
The InChIKey is JGJIRYOMJYJUHS-NYYWCZLTSA-N. The full InChI is InChI=1S/C17H16O/c1-4-11(2)13-8-9-15-14(10-13)17-12(3)6-5-7-16(17)18-15/h4-10H,1-3H3/b11-4+.
What are the key properties of 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran?
8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran has a molecular weight of 236.31 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-but-2-en-2-yl]-1-methyldibenzofuran is sourced from PubChem (CID 153368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).