3-iodo-2-(3-nitrophenyl)-1-benzofuran

C14H8INO3 — CID 174882963

IUPAC3-iodo-2-(3-nitrophenyl)-1-benzofuran
SMILESO=[N+]([O-])c1cccc(-c2oc3ccccc3c2I)c1
InChIInChI=1S/C14H8INO3/c15-13-11-6-1-2-7-12(11)19-14(13)9-4-3-5-10(8-9)16(17)18/h1-8H
InChIKeySFBHQMFGAMXFBY-UHFFFAOYSA-N
MW365.13 g/mol
LogP4.61
Rot. Bonds2

About 3-iodo-2-(3-nitrophenyl)-1-benzofuran

3-iodo-2-(3-nitrophenyl)-1-benzofuran (PubChem CID 174882963) has the molecular formula C14H8INO3 and a molecular weight of 365.13 g/mol. Its IUPAC name is 3-iodo-2-(3-nitrophenyl)-1-benzofuran.

Molecular Properties

Compound Name3-iodo-2-(3-nitrophenyl)-1-benzofuran
PubChem CID174882963
Molecular FormulaC14H8INO3
Molecular Weight365.13 g/mol
Exact Mass364.95
IUPAC Name3-iodo-2-(3-nitrophenyl)-1-benzofuran
SMILESO=[N+]([O-])c1cccc(-c2oc3ccccc3c2I)c1
InChIInChI=1S/C14H8INO3/c15-13-11-6-1-2-7-12(11)19-14(13)9-4-3-5-10(8-9)16(17)18/h1-8H
InChIKeySFBHQMFGAMXFBY-UHFFFAOYSA-N
XLogP4.61
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
4-amino-2-(3-nitrophenyl)chromeno[3,4-c]pyridin-5-one
CID 630499
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-(3-bromophenyl)-3-nitrochromen-4-one
CID 54548157
3-nitroxanthene-9-thione
CID 12998438
(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
CID 100804365
CID 66849213
CID 66849213
[2-(4-chlorophenyl)-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate
CID 4190669
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
10-methyl-9-(3-nitrophenyl)acridin-10-ium iodide
CID 164611367

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(3-nitrophenyl)-1-benzofuran?
The IUPAC name of 3-iodo-2-(3-nitrophenyl)-1-benzofuran (CID 174882963) is 3-iodo-2-(3-nitrophenyl)-1-benzofuran.
What is the SMILES notation for 3-iodo-2-(3-nitrophenyl)-1-benzofuran?
The canonical SMILES for 3-iodo-2-(3-nitrophenyl)-1-benzofuran is O=[N+]([O-])c1cccc(-c2oc3ccccc3c2I)c1.
What is the InChIKey of 3-iodo-2-(3-nitrophenyl)-1-benzofuran?
The InChIKey is SFBHQMFGAMXFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO3/c15-13-11-6-1-2-7-12(11)19-14(13)9-4-3-5-10(8-9)16(17)18/h1-8H.
What are the key properties of 3-iodo-2-(3-nitrophenyl)-1-benzofuran?
3-iodo-2-(3-nitrophenyl)-1-benzofuran has a molecular weight of 365.13 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(3-nitrophenyl)-1-benzofuran is sourced from PubChem (CID 174882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).