2-[2-(iodomethyl)phenyl]-1-benzofuran

C15H11IO — CID 146186545

IUPAC2-[2-(iodomethyl)phenyl]-1-benzofuran
SMILESICc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H11IO/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H,10H2
InChIKeyMULPPNBJRXBZJX-UHFFFAOYSA-N
MW334.16 g/mol
LogP5.03
Rot. Bonds2

About 2-[2-(iodomethyl)phenyl]-1-benzofuran

2-[2-(iodomethyl)phenyl]-1-benzofuran (PubChem CID 146186545) has the molecular formula C15H11IO and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-[2-(iodomethyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[2-(iodomethyl)phenyl]-1-benzofuran
PubChem CID146186545
Molecular FormulaC15H11IO
Molecular Weight334.16 g/mol
Exact Mass333.99
IUPAC Name2-[2-(iodomethyl)phenyl]-1-benzofuran
SMILESICc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H11IO/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H,10H2
InChIKeyMULPPNBJRXBZJX-UHFFFAOYSA-N
XLogP5.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.16
LogP ≤ 55.03
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

2-(2-bromophenyl)-1-benzofuran
CID 14669096
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 54196974
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-(2-ethenylphenyl)-1-benzofuran
CID 173437149
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959
2-pyren-1-yl-1-benzofuran
CID 59390386
5-(1-benzofuran-2-yl)benzo[a]anthracene-7,12-dione
CID 12614696
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
1-(fluoromethyl)xanthen-3-one
CID 175090220
1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
CID 123869857
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(iodomethyl)phenyl]-1-benzofuran?
The IUPAC name of 2-[2-(iodomethyl)phenyl]-1-benzofuran (CID 146186545) is 2-[2-(iodomethyl)phenyl]-1-benzofuran.
What is the SMILES notation for 2-[2-(iodomethyl)phenyl]-1-benzofuran?
The canonical SMILES for 2-[2-(iodomethyl)phenyl]-1-benzofuran is ICc1ccccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-[2-(iodomethyl)phenyl]-1-benzofuran?
The InChIKey is MULPPNBJRXBZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H,10H2.
What are the key properties of 2-[2-(iodomethyl)phenyl]-1-benzofuran?
2-[2-(iodomethyl)phenyl]-1-benzofuran has a molecular weight of 334.16 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(iodomethyl)phenyl]-1-benzofuran is sourced from PubChem (CID 146186545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).