2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran

C18H15BrO — CID 76816109

IUPAC2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran
SMILESCC(=CC=C1Cc2ccccc2O1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrO/c1-13(14-7-9-16(19)10-8-14)6-11-17-12-15-4-2-3-5-18(15)20-17/h2-11H,12H2,1H3
InChIKeyYWMFFYJACVWQAN-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.37
Rot. Bonds2

About 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran

2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran (PubChem CID 76816109) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran
PubChem CID76816109
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran
SMILESCC(=CC=C1Cc2ccccc2O1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrO/c1-13(14-7-9-16(19)10-8-14)6-11-17-12-15-4-2-3-5-18(15)20-17/h2-11H,12H2,1H3
InChIKeyYWMFFYJACVWQAN-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3H-1-benzofuran-2-ylidenemethyl)phenol
CID 139847693
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
9H-xanthene
CID 7107
biphenylene;9H-xanthene
CID 69049558
2,3-dibromo-4H-chromene
CID 18172585
4-(3H-1-benzofuran-2-ylidenemethyl)morpholine
CID 141072942
1-bromo-9H-xanthene;9H-xanthene
CID 174712211
benzyl (2E)-2-(3H-1-benzofuran-2-ylidene)acetate
CID 56642723
2-methylidene-3H-1-benzofuran;(Z)-pent-2-ene
CID 142896770
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
2-(4-bromophenyl)-4H-chromene
CID 135086325
1,2-dimethyl-9H-xanthene
CID 3016191

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran?
The IUPAC name of 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran (CID 76816109) is 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran.
What is the SMILES notation for 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran?
The canonical SMILES for 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran is CC(=CC=C1Cc2ccccc2O1)c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran?
The InChIKey is YWMFFYJACVWQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c1-13(14-7-9-16(19)10-8-14)6-11-17-12-15-4-2-3-5-18(15)20-17/h2-11H,12H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran?
2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran has a molecular weight of 327.22 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)but-2-enylidene]-3H-1-benzofuran is sourced from PubChem (CID 76816109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).