2-azido-1-(3,4-dipropoxyphenyl)ethanol

C14H21N3O3 — CID 83093722

IUPAC2-azido-1-(3,4-dipropoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CN=[N+]=[N-])cc1OCCC
InChIInChI=1S/C14H21N3O3/c1-3-7-19-13-6-5-11(12(18)10-16-17-15)9-14(13)20-8-4-2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3
InChIKeyAQIAWAUCFFGYAM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.61
Rot. Bonds9

About 2-azido-1-(3,4-dipropoxyphenyl)ethanol

2-azido-1-(3,4-dipropoxyphenyl)ethanol (PubChem CID 83093722) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-azido-1-(3,4-dipropoxyphenyl)ethanol.

Molecular Properties

Compound Name2-azido-1-(3,4-dipropoxyphenyl)ethanol
PubChem CID83093722
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-azido-1-(3,4-dipropoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CN=[N+]=[N-])cc1OCCC
InChIInChI=1S/C14H21N3O3/c1-3-7-19-13-6-5-11(12(18)10-16-17-15)9-14(13)20-8-4-2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3
InChIKeyAQIAWAUCFFGYAM-UHFFFAOYSA-N
XLogP3.61
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.61
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

(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 102233999
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(3,4-dipropoxyphenyl)ethanol?
The IUPAC name of 2-azido-1-(3,4-dipropoxyphenyl)ethanol (CID 83093722) is 2-azido-1-(3,4-dipropoxyphenyl)ethanol.
What is the SMILES notation for 2-azido-1-(3,4-dipropoxyphenyl)ethanol?
The canonical SMILES for 2-azido-1-(3,4-dipropoxyphenyl)ethanol is CCCOc1ccc(C(O)CN=[N+]=[N-])cc1OCCC.
What is the InChIKey of 2-azido-1-(3,4-dipropoxyphenyl)ethanol?
The InChIKey is AQIAWAUCFFGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-19-13-6-5-11(12(18)10-16-17-15)9-14(13)20-8-4-2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-azido-1-(3,4-dipropoxyphenyl)ethanol?
2-azido-1-(3,4-dipropoxyphenyl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3,4-dipropoxyphenyl)ethanol is sourced from PubChem (CID 83093722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).