3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol

C11H15N3O5 — CID 170827281

IUPAC3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN=[N+]=[N-])cc(OC)c1O
InChIInChI=1S/C11H15N3O5/c1-18-8-3-6(4-9(19-2)11(8)17)10(16)7(15)5-13-14-12/h3-4,7,10,15-17H,5H2,1-2H3
InChIKeyFEKRKBCWODGHFP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.11
Rot. Bonds6

About 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol

3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol (PubChem CID 170827281) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
PubChem CID170827281
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN=[N+]=[N-])cc(OC)c1O
InChIInChI=1S/C11H15N3O5/c1-18-8-3-6(4-9(19-2)11(8)17)10(16)7(15)5-13-14-12/h3-4,7,10,15-17H,5H2,1-2H3
InChIKeyFEKRKBCWODGHFP-UHFFFAOYSA-N
XLogP1.11
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-azido-1-(3-iodo-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827268
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827269
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
3-azido-1-[5-(hydroxymethyl)-2-methoxyphenyl]propane-1,2-diol
CID 170826312
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
1-[3-(3-azido-1,2-dihydroxypropyl)-4-methoxyphenyl]ethanone
CID 170826582
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
2-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170826906
5-(3-azido-1,2-dihydroxypropyl)benzene-1,3-dicarbaldehyde
CID 170826321
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol (CID 170827281) is 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol is COc1cc(C(O)C(O)CN=[N+]=[N-])cc(OC)c1O.
What is the InChIKey of 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol?
The InChIKey is FEKRKBCWODGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-8-3-6(4-9(19-2)11(8)17)10(16)7(15)5-13-14-12/h3-4,7,10,15-17H,5H2,1-2H3.
What are the key properties of 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol?
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol has a molecular weight of 269.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 170827281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).