[5-(3-iodopropoxy)-2-nitrophenyl]methanol

C10H12INO4 — CID 4684971

IUPAC[5-(3-iodopropoxy)-2-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCCI)cc1CO
InChIInChI=1S/C10H12INO4/c11-4-1-5-16-9-2-3-10(12(14)15)8(6-9)7-13/h2-3,6,13H,1,4-5,7H2
InChIKeyGNERSTKDYGSZNN-UHFFFAOYSA-N
MW337.11 g/mol
LogP2.29
Rot. Bonds6

About [5-(3-iodopropoxy)-2-nitrophenyl]methanol

[5-(3-iodopropoxy)-2-nitrophenyl]methanol (PubChem CID 4684971) has the molecular formula C10H12INO4 and a molecular weight of 337.11 g/mol. Its IUPAC name is [5-(3-iodopropoxy)-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[5-(3-iodopropoxy)-2-nitrophenyl]methanol
PubChem CID4684971
Molecular FormulaC10H12INO4
Molecular Weight337.11 g/mol
Exact Mass336.98
IUPAC Name[5-(3-iodopropoxy)-2-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCCI)cc1CO
InChIInChI=1S/C10H12INO4/c11-4-1-5-16-9-2-3-10(12(14)15)8(6-9)7-13/h2-3,6,13H,1,4-5,7H2
InChIKeyGNERSTKDYGSZNN-UHFFFAOYSA-N
XLogP2.29
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-iodopropoxy)-2-nitrophenyl]methanol?
The IUPAC name of [5-(3-iodopropoxy)-2-nitrophenyl]methanol (CID 4684971) is [5-(3-iodopropoxy)-2-nitrophenyl]methanol.
What is the SMILES notation for [5-(3-iodopropoxy)-2-nitrophenyl]methanol?
The canonical SMILES for [5-(3-iodopropoxy)-2-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCCCI)cc1CO.
What is the InChIKey of [5-(3-iodopropoxy)-2-nitrophenyl]methanol?
The InChIKey is GNERSTKDYGSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO4/c11-4-1-5-16-9-2-3-10(12(14)15)8(6-9)7-13/h2-3,6,13H,1,4-5,7H2.
What are the key properties of [5-(3-iodopropoxy)-2-nitrophenyl]methanol?
[5-(3-iodopropoxy)-2-nitrophenyl]methanol has a molecular weight of 337.11 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-iodopropoxy)-2-nitrophenyl]methanol is sourced from PubChem (CID 4684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).