3-(azidomethyl)-1,5-diphenylpentan-3-ol

C18H21N3O — CID 22910028

IUPAC3-(azidomethyl)-1,5-diphenylpentan-3-ol
SMILES[N-]=[N+]=NCC(O)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21N3O/c19-21-20-15-18(22,13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,22H,11-15H2
InChIKeySVUWRADFDYMNEC-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds8

About 3-(azidomethyl)-1,5-diphenylpentan-3-ol

3-(azidomethyl)-1,5-diphenylpentan-3-ol (PubChem CID 22910028) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(azidomethyl)-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name3-(azidomethyl)-1,5-diphenylpentan-3-ol
PubChem CID22910028
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(azidomethyl)-1,5-diphenylpentan-3-ol
SMILES[N-]=[N+]=NCC(O)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21N3O/c19-21-20-15-18(22,13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,22H,11-15H2
InChIKeySVUWRADFDYMNEC-UHFFFAOYSA-N
XLogP4.29
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1,5-diphenylpentan-3-ol?
The IUPAC name of 3-(azidomethyl)-1,5-diphenylpentan-3-ol (CID 22910028) is 3-(azidomethyl)-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 3-(azidomethyl)-1,5-diphenylpentan-3-ol?
The canonical SMILES for 3-(azidomethyl)-1,5-diphenylpentan-3-ol is [N-]=[N+]=NCC(O)(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 3-(azidomethyl)-1,5-diphenylpentan-3-ol?
The InChIKey is SVUWRADFDYMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-21-20-15-18(22,13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,22H,11-15H2.
What are the key properties of 3-(azidomethyl)-1,5-diphenylpentan-3-ol?
3-(azidomethyl)-1,5-diphenylpentan-3-ol has a molecular weight of 295.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 22910028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).