2-[iodo(phenyl)methyl]furan

C11H9IO — CID 139520003

IUPAC2-[iodo(phenyl)methyl]furan
SMILESIC(c1ccccc1)c1ccco1
InChIInChI=1S/C11H9IO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H
InChIKeyMUZFQVCEVCKKNU-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.80
Rot. Bonds2

About 2-[iodo(phenyl)methyl]furan

2-[iodo(phenyl)methyl]furan (PubChem CID 139520003) has the molecular formula C11H9IO and a molecular weight of 284.10 g/mol. Its IUPAC name is 2-[iodo(phenyl)methyl]furan.

Molecular Properties

Compound Name2-[iodo(phenyl)methyl]furan
PubChem CID139520003
Molecular FormulaC11H9IO
Molecular Weight284.10 g/mol
Exact Mass283.97
IUPAC Name2-[iodo(phenyl)methyl]furan
SMILESIC(c1ccccc1)c1ccco1
InChIInChI=1S/C11H9IO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H
InChIKeyMUZFQVCEVCKKNU-UHFFFAOYSA-N
XLogP3.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]azanium
CID 6945147
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
2-(2,2-dimethoxy-1-phenylethyl)furan
CID 101093381
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964
(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
2-benzhydrylfuran;ethyl formate
CID 174588492
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827

Frequently Asked Questions

What is the IUPAC name of 2-[iodo(phenyl)methyl]furan?
The IUPAC name of 2-[iodo(phenyl)methyl]furan (CID 139520003) is 2-[iodo(phenyl)methyl]furan.
What is the SMILES notation for 2-[iodo(phenyl)methyl]furan?
The canonical SMILES for 2-[iodo(phenyl)methyl]furan is IC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-[iodo(phenyl)methyl]furan?
The InChIKey is MUZFQVCEVCKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H.
What are the key properties of 2-[iodo(phenyl)methyl]furan?
2-[iodo(phenyl)methyl]furan has a molecular weight of 284.10 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(phenyl)methyl]furan is sourced from PubChem (CID 139520003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).