[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol

C15H20IN3O — CID 70928360

IUPAC[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol
SMILESCCCCCCc1ccc(-n2nnc(CO)c2I)cc1
InChIInChI=1S/C15H20IN3O/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-15(16)14(11-20)17-18-19/h7-10,20H,2-6,11H2,1H3
InChIKeyGZTFADKQZKCEJN-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.49
Rot. Bonds7

About [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol

[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol (PubChem CID 70928360) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol
PubChem CID70928360
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol
SMILESCCCCCCc1ccc(-n2nnc(CO)c2I)cc1
InChIInChI=1S/C15H20IN3O/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-15(16)14(11-20)17-18-19/h7-10,20H,2-6,11H2,1H3
InChIKeyGZTFADKQZKCEJN-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
[1-(4-hexylphenyl)triazol-4-yl]methanol
CID 70928371
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
1-iodo-4-octadecylbenzene
CID 141122271
1-butyl-4-nonylbenzene
CID 59545302
[1-(4-butoxyphenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 94939967
2-[4-(4-octyltriazol-1-yl)phenyl]ethanol
CID 72736019
1-(4-butylphenyl)-5-propyltriazole-4-carbonitrile
CID 82195914
1-(4-butylphenyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 82201161
1-(4-hexylphenyl)triazole-4-carboxamide
CID 121373598

Frequently Asked Questions

What is the IUPAC name of [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol?
The IUPAC name of [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol (CID 70928360) is [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol?
The canonical SMILES for [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol is CCCCCCc1ccc(-n2nnc(CO)c2I)cc1.
What is the InChIKey of [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol?
The InChIKey is GZTFADKQZKCEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-15(16)14(11-20)17-18-19/h7-10,20H,2-6,11H2,1H3.
What are the key properties of [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol?
[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol has a molecular weight of 385.25 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol is sourced from PubChem (CID 70928360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).