4-but-1-enyldibenzofuran

C16H14O — CID 154131929

IUPAC4-but-1-enyldibenzofuran
SMILESCCC=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C16H14O/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h3-11H,2H2,1H3
InChIKeyCWFGUOPHPPPEPY-UHFFFAOYSA-N
MW222.29 g/mol
LogP5.01
Rot. Bonds2

About 4-but-1-enyldibenzofuran

4-but-1-enyldibenzofuran (PubChem CID 154131929) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-but-1-enyldibenzofuran.

Molecular Properties

Compound Name4-but-1-enyldibenzofuran
PubChem CID154131929
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-but-1-enyldibenzofuran
SMILESCCC=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C16H14O/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h3-11H,2H2,1H3
InChIKeyCWFGUOPHPPPEPY-UHFFFAOYSA-N
XLogP5.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.29
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethyl 3-dibenzofuran-4-ylprop-2-enoate
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1,2-bis(but-1-enyl)benzene
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4-[2-(4-chlorophenyl)ethenyl]dibenzofuran
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dibenzofuran;ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyldibenzofuran?
The IUPAC name of 4-but-1-enyldibenzofuran (CID 154131929) is 4-but-1-enyldibenzofuran.
What is the SMILES notation for 4-but-1-enyldibenzofuran?
The canonical SMILES for 4-but-1-enyldibenzofuran is CCC=Cc1cccc2c1oc1ccccc12.
What is the InChIKey of 4-but-1-enyldibenzofuran?
The InChIKey is CWFGUOPHPPPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14/h3-11H,2H2,1H3.
What are the key properties of 4-but-1-enyldibenzofuran?
4-but-1-enyldibenzofuran has a molecular weight of 222.29 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyldibenzofuran is sourced from PubChem (CID 154131929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).