4-iodo-2-[(E)-2-phenylethenyl]furan

C12H9IO — CID 11572944

IUPAC4-iodo-2-[(E)-2-phenylethenyl]furan
SMILESIc1coc(/C=C/c2ccccc2)c1
InChIInChI=1S/C12H9IO/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyLDXPJHJXXBROMI-VOTSOKGWSA-N
MW296.11 g/mol
LogP4.05
Rot. Bonds2

About 4-iodo-2-[(E)-2-phenylethenyl]furan

4-iodo-2-[(E)-2-phenylethenyl]furan (PubChem CID 11572944) has the molecular formula C12H9IO and a molecular weight of 296.11 g/mol. Its IUPAC name is 4-iodo-2-[(E)-2-phenylethenyl]furan.

Molecular Properties

Compound Name4-iodo-2-[(E)-2-phenylethenyl]furan
PubChem CID11572944
Molecular FormulaC12H9IO
Molecular Weight296.11 g/mol
Exact Mass295.97
IUPAC Name4-iodo-2-[(E)-2-phenylethenyl]furan
SMILESIc1coc(/C=C/c2ccccc2)c1
InChIInChI=1S/C12H9IO/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyLDXPJHJXXBROMI-VOTSOKGWSA-N
XLogP4.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-phenylethenyl]furan
CID 642118
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
2-[(E)-2-phenylethenyl]azulene
CID 12674002
2-chloro-5-[(E)-2-phenylethenyl]furan
CID 10845883
stilbene azide
CID 159769295
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[(E)-2-phenylethenyl]furan?
The IUPAC name of 4-iodo-2-[(E)-2-phenylethenyl]furan (CID 11572944) is 4-iodo-2-[(E)-2-phenylethenyl]furan.
What is the SMILES notation for 4-iodo-2-[(E)-2-phenylethenyl]furan?
The canonical SMILES for 4-iodo-2-[(E)-2-phenylethenyl]furan is Ic1coc(/C=C/c2ccccc2)c1.
What is the InChIKey of 4-iodo-2-[(E)-2-phenylethenyl]furan?
The InChIKey is LDXPJHJXXBROMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H9IO/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+.
What are the key properties of 4-iodo-2-[(E)-2-phenylethenyl]furan?
4-iodo-2-[(E)-2-phenylethenyl]furan has a molecular weight of 296.11 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[(E)-2-phenylethenyl]furan is sourced from PubChem (CID 11572944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).