ethoxy-(4-iodo-3-nitrophenyl)methanol

C9H10INO4 — CID 130418082

IUPACethoxy-(4-iodo-3-nitrophenyl)methanol
SMILESCCOC(O)c1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10INO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5,9,12H,2H2,1H3
InChIKeyWATOLCYDYGYLNW-UHFFFAOYSA-N
MW323.09 g/mol
LogP2.23
Rot. Bonds4

About ethoxy-(4-iodo-3-nitrophenyl)methanol

ethoxy-(4-iodo-3-nitrophenyl)methanol (PubChem CID 130418082) has the molecular formula C9H10INO4 and a molecular weight of 323.09 g/mol. Its IUPAC name is ethoxy-(4-iodo-3-nitrophenyl)methanol.

Molecular Properties

Compound Nameethoxy-(4-iodo-3-nitrophenyl)methanol
PubChem CID130418082
Molecular FormulaC9H10INO4
Molecular Weight323.09 g/mol
Exact Mass322.97
IUPAC Nameethoxy-(4-iodo-3-nitrophenyl)methanol
SMILESCCOC(O)c1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10INO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5,9,12H,2H2,1H3
InChIKeyWATOLCYDYGYLNW-UHFFFAOYSA-N
XLogP2.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethoxy-(4-iodo-3-nitrophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-iodo-3-nitrophenyl)ethanamine
CID 130741027
(3,5-dinitro-2-pyridinyl)-ethoxymethanol
CID 10847791
(4-fluoro-3-nitrophenyl)-methoxymethanol
CID 174484275
1-(4-iodo-3-nitrophenyl)butan-1-one
CID 174678775
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-nitrophenyl)propanoate
CID 171866600
ethyl 3-(4-amino-3-nitrophenyl)-2,3-dihydroxypropanoate
CID 171866491
(1R)-1-(4-ethylsulfanyl-3-nitrophenyl)ethanol
CID 78951818
2-(dimethylamino)-1-(4-ethoxy-3-nitrophenyl)ethanol
CID 82216660
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-nitrophenol
CID 171192076
ethyl 3,4-dihydroxy-4-(3-hydroxy-4-nitrophenyl)butanoate
CID 171897881
methyl 5-(4-ethoxy-3-nitrophenyl)-5-hydroxypentanoate
CID 82347086
(1R)-1-[4-(diethylamino)-3-nitrophenyl]ethanol
CID 63371664

Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-iodo-3-nitrophenyl)methanol?
The IUPAC name of ethoxy-(4-iodo-3-nitrophenyl)methanol (CID 130418082) is ethoxy-(4-iodo-3-nitrophenyl)methanol.
What is the SMILES notation for ethoxy-(4-iodo-3-nitrophenyl)methanol?
The canonical SMILES for ethoxy-(4-iodo-3-nitrophenyl)methanol is CCOC(O)c1ccc(I)c([N+](=O)[O-])c1.
What is the InChIKey of ethoxy-(4-iodo-3-nitrophenyl)methanol?
The InChIKey is WATOLCYDYGYLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5,9,12H,2H2,1H3.
What are the key properties of ethoxy-(4-iodo-3-nitrophenyl)methanol?
ethoxy-(4-iodo-3-nitrophenyl)methanol has a molecular weight of 323.09 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-iodo-3-nitrophenyl)methanol is sourced from PubChem (CID 130418082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).