4-bromo-2-(1-phenylethenyl)furan

C12H9BrO — CID 162352914

IUPAC4-bromo-2-(1-phenylethenyl)furan
SMILESC=C(c1ccccc1)c1cc(Br)co1
InChIInChI=1S/C12H9BrO/c1-9(10-5-3-2-4-6-10)12-7-11(13)8-14-12/h2-8H,1H2
InChIKeyTVFLCPLGAASOOU-UHFFFAOYSA-N
MW249.11 g/mol
LogP4.10
Rot. Bonds2

About 4-bromo-2-(1-phenylethenyl)furan

4-bromo-2-(1-phenylethenyl)furan (PubChem CID 162352914) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 4-bromo-2-(1-phenylethenyl)furan.

Molecular Properties

Compound Name4-bromo-2-(1-phenylethenyl)furan
PubChem CID162352914
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name4-bromo-2-(1-phenylethenyl)furan
SMILESC=C(c1ccccc1)c1cc(Br)co1
InChIInChI=1S/C12H9BrO/c1-9(10-5-3-2-4-6-10)12-7-11(13)8-14-12/h2-8H,1H2
InChIKeyTVFLCPLGAASOOU-UHFFFAOYSA-N
XLogP4.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
5-bromo-2-(1-phenylethenyl)pyridine
CID 101057662
phenol;1-phenylethenylbenzene
CID 174309625
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
4-bromo-2-phenylsulfanylfuran
CID 641480
N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-4-bromofuran-2-carboxamide
CID 121264477
1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
1-bromoethenylbenzene;sulfane
CID 175924538
4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one
CID 141356919
2,6-dichloro-4-(1-phenylethenyl)pyridine
CID 146175460

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-phenylethenyl)furan?
The IUPAC name of 4-bromo-2-(1-phenylethenyl)furan (CID 162352914) is 4-bromo-2-(1-phenylethenyl)furan.
What is the SMILES notation for 4-bromo-2-(1-phenylethenyl)furan?
The canonical SMILES for 4-bromo-2-(1-phenylethenyl)furan is C=C(c1ccccc1)c1cc(Br)co1.
What is the InChIKey of 4-bromo-2-(1-phenylethenyl)furan?
The InChIKey is TVFLCPLGAASOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c1-9(10-5-3-2-4-6-10)12-7-11(13)8-14-12/h2-8H,1H2.
What are the key properties of 4-bromo-2-(1-phenylethenyl)furan?
4-bromo-2-(1-phenylethenyl)furan has a molecular weight of 249.11 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-phenylethenyl)furan is sourced from PubChem (CID 162352914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).