1-iodo-2-nitro-3-phenylmethoxybenzene

C13H10INO3 — CID 134860579

IUPAC1-iodo-2-nitro-3-phenylmethoxybenzene
SMILESO=[N+]([O-])c1c(I)cccc1OCc1ccccc1
InChIInChI=1S/C13H10INO3/c14-11-7-4-8-12(13(11)15(16)17)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHEFGIYPQAXQLRG-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.78
Rot. Bonds4

About 1-iodo-2-nitro-3-phenylmethoxybenzene

1-iodo-2-nitro-3-phenylmethoxybenzene (PubChem CID 134860579) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 1-iodo-2-nitro-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-iodo-2-nitro-3-phenylmethoxybenzene
PubChem CID134860579
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name1-iodo-2-nitro-3-phenylmethoxybenzene
SMILESO=[N+]([O-])c1c(I)cccc1OCc1ccccc1
InChIInChI=1S/C13H10INO3/c14-11-7-4-8-12(13(11)15(16)17)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHEFGIYPQAXQLRG-UHFFFAOYSA-N
XLogP3.78
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 53.78
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-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
1-ethoxy-3-iodo-2-nitrobenzene
CID 135336837
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 65125963
5-chloro-2-(2-nitro-3-phenylmethoxyphenyl)sulfanylpyrimidine
CID 163275960
1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
1-iodo-2-nitro-3-(trifluoromethoxy)benzene
CID 118807896
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
3-methoxy-2-nitro-6-phenylmethoxybenzoyl chloride
CID 71322915
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895
1-(3-bromo-2-nitro-4-phenylmethoxyphenyl)ethanone
CID 91863246

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-nitro-3-phenylmethoxybenzene?
The IUPAC name of 1-iodo-2-nitro-3-phenylmethoxybenzene (CID 134860579) is 1-iodo-2-nitro-3-phenylmethoxybenzene.
What is the SMILES notation for 1-iodo-2-nitro-3-phenylmethoxybenzene?
The canonical SMILES for 1-iodo-2-nitro-3-phenylmethoxybenzene is O=[N+]([O-])c1c(I)cccc1OCc1ccccc1.
What is the InChIKey of 1-iodo-2-nitro-3-phenylmethoxybenzene?
The InChIKey is HEFGIYPQAXQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-11-7-4-8-12(13(11)15(16)17)18-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-iodo-2-nitro-3-phenylmethoxybenzene?
1-iodo-2-nitro-3-phenylmethoxybenzene has a molecular weight of 355.13 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-nitro-3-phenylmethoxybenzene is sourced from PubChem (CID 134860579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).