3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol

C11H15N3O3 — CID 102233999

IUPAC3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN=[N+]=[N-])cc1OC
InChIInChI=1S/C11H15N3O3/c1-16-10-4-3-8(7-11(10)17-2)9(15)5-6-13-14-12/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyWNASWUHIYYYTSC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.44
Rot. Bonds6

About 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol

3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 102233999) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID102233999
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN=[N+]=[N-])cc1OC
InChIInChI=1S/C11H15N3O3/c1-16-10-4-3-8(7-11(10)17-2)9(15)5-6-13-14-12/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyWNASWUHIYYYTSC-UHFFFAOYSA-N
XLogP2.44
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.44
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

1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
[3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium
CID 11284069
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzonitrile
CID 171879956
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzaldehyde
CID 171879761
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzoic acid
CID 171880076
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol (CID 102233999) is 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)CCN=[N+]=[N-])cc1OC.
What is the InChIKey of 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is WNASWUHIYYYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-4-3-8(7-11(10)17-2)9(15)5-6-13-14-12/h3-4,7,9,15H,5-6H2,1-2H3.
What are the key properties of 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol?
3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 102233999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).