1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol

C14H15N3O2 — CID 78066817

IUPAC1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
SMILES[N-]=[N+]=NCC(O)COCc1cccc2ccccc12
InChIInChI=1S/C14H15N3O2/c15-17-16-8-13(18)10-19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,18H,8-10H2
InChIKeyLUNKJBHPQJLBEY-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.03
Rot. Bonds6

About 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol

1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol (PubChem CID 78066817) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
PubChem CID78066817
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
SMILES[N-]=[N+]=NCC(O)COCc1cccc2ccccc12
InChIInChI=1S/C14H15N3O2/c15-17-16-8-13(18)10-19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,18H,8-10H2
InChIKeyLUNKJBHPQJLBEY-UHFFFAOYSA-N
XLogP3.03
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol?
The IUPAC name of 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol (CID 78066817) is 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol is [N-]=[N+]=NCC(O)COCc1cccc2ccccc12.
What is the InChIKey of 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol?
The InChIKey is LUNKJBHPQJLBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-17-16-8-13(18)10-19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,18H,8-10H2.
What are the key properties of 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol?
1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol has a molecular weight of 257.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol is sourced from PubChem (CID 78066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).