1-azido-3-(4-methoxyphenoxy)propan-2-ol

C10H13N3O3 — CID 71340918

IUPAC1-azido-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(14)6-12-13-11/h2-5,8,14H,6-7H2,1H3
InChIKeyBUWZTUOONXBIQT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds6

About 1-azido-3-(4-methoxyphenoxy)propan-2-ol

1-azido-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 71340918) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-azido-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-azido-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID71340918
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-azido-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(14)6-12-13-11/h2-5,8,14H,6-7H2,1H3
InChIKeyBUWZTUOONXBIQT-UHFFFAOYSA-N
XLogP1.75
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

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1-azido-3-(4-methoxyphenyl)propan-2-amine
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[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
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(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol
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1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
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1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
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1-(4-methoxyphenoxy)tetradecan-2-ol
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1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
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CID 60635112

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-azido-3-(4-methoxyphenoxy)propan-2-ol (CID 71340918) is 1-azido-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-azido-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-azido-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN=[N+]=[N-])cc1.
What is the InChIKey of 1-azido-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is BUWZTUOONXBIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(14)6-12-13-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-azido-3-(4-methoxyphenoxy)propan-2-ol?
1-azido-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 223.23 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 71340918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).