2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C10H10IN3O — CID 65479320

IUPAC2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ncn[nH]1
InChIInChI=1S/C10H10IN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyJDZMANDJWGPPOQ-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.69
Rot. Bonds3

About 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 65479320) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID65479320
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ncn[nH]1
InChIInChI=1S/C10H10IN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyJDZMANDJWGPPOQ-UHFFFAOYSA-N
XLogP1.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363176
2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 82920324
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363113
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 65479320) is 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1ccc(I)cc1)c1ncn[nH]1.
What is the InChIKey of 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is JDZMANDJWGPPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14).
What are the key properties of 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 315.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 65479320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).