3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol

C10H11IN4O — CID 68945267

IUPAC3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2cccc(I)c2)n1
InChIInChI=1S/C10H11IN4O/c11-9-4-1-3-8(7-9)10-12-14-15(13-10)5-2-6-16/h1,3-4,7,16H,2,5-6H2
InChIKeyLAMWGYGWFGMFJU-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.33
Rot. Bonds4

About 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol

3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol (PubChem CID 68945267) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol
PubChem CID68945267
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2cccc(I)c2)n1
InChIInChI=1S/C10H11IN4O/c11-9-4-1-3-8(7-9)10-12-14-15(13-10)5-2-6-16/h1,3-4,7,16H,2,5-6H2
InChIKeyLAMWGYGWFGMFJU-UHFFFAOYSA-N
XLogP1.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol (CID 68945267) is 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol is OCCCn1nnc(-c2cccc(I)c2)n1.
What is the InChIKey of 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol?
The InChIKey is LAMWGYGWFGMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c11-9-4-1-3-8(7-9)10-12-14-15(13-10)5-2-6-16/h1,3-4,7,16H,2,5-6H2.
What are the key properties of 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol?
3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol has a molecular weight of 330.13 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 68945267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).