2-[(E)-2-(2-bromophenyl)ethenyl]furan

C12H9BrO — CID 11831804

IUPAC2-[(E)-2-(2-bromophenyl)ethenyl]furan
SMILESBrc1ccccc1/C=C/c1ccco1
InChIInChI=1S/C12H9BrO/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h1-9H/b8-7+
InChIKeyWVDRQEVZJSVXSJ-BQYQJAHWSA-N
MW249.11 g/mol
LogP4.21
Rot. Bonds2

About 2-[(E)-2-(2-bromophenyl)ethenyl]furan

2-[(E)-2-(2-bromophenyl)ethenyl]furan (PubChem CID 11831804) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromophenyl)ethenyl]furan.

Molecular Properties

Compound Name2-[(E)-2-(2-bromophenyl)ethenyl]furan
PubChem CID11831804
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name2-[(E)-2-(2-bromophenyl)ethenyl]furan
SMILESBrc1ccccc1/C=C/c1ccco1
InChIInChI=1S/C12H9BrO/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h1-9H/b8-7+
InChIKeyWVDRQEVZJSVXSJ-BQYQJAHWSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
2-[(Z)-2-(2-ethenylphenyl)ethenyl]furan
CID 14547807
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(Z)-2-naphthalen-1-ylethenyl]furan
CID 12649067
(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11623260
2-[(E)-2-phenylethenyl]furan
CID 642118
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-(3,3,3-trichloroprop-1-enyl)furan
CID 56614654
2-(2-bromophenyl)ethenol
CID 174465941
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(Z)-2-chloroethenyl]furan
CID 11389398
3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile
CID 178068624

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]furan?
The IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]furan (CID 11831804) is 2-[(E)-2-(2-bromophenyl)ethenyl]furan.
What is the SMILES notation for 2-[(E)-2-(2-bromophenyl)ethenyl]furan?
The canonical SMILES for 2-[(E)-2-(2-bromophenyl)ethenyl]furan is Brc1ccccc1/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-2-(2-bromophenyl)ethenyl]furan?
The InChIKey is WVDRQEVZJSVXSJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H9BrO/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h1-9H/b8-7+.
What are the key properties of 2-[(E)-2-(2-bromophenyl)ethenyl]furan?
2-[(E)-2-(2-bromophenyl)ethenyl]furan has a molecular weight of 249.11 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-bromophenyl)ethenyl]furan is sourced from PubChem (CID 11831804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).