2-azido-1-(4-methoxyphenyl)propane-1,3-diol

C10H13N3O3 — CID 121485278

IUPAC2-azido-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)10(15)9(6-14)12-13-11/h2-5,9-10,14-15H,6H2,1H3
InChIKeyHHIIATBBZLPMAP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.40
Rot. Bonds5

About 2-azido-1-(4-methoxyphenyl)propane-1,3-diol

2-azido-1-(4-methoxyphenyl)propane-1,3-diol (PubChem CID 121485278) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-azido-1-(4-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-azido-1-(4-methoxyphenyl)propane-1,3-diol
PubChem CID121485278
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-azido-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)10(15)9(6-14)12-13-11/h2-5,9-10,14-15H,6H2,1H3
InChIKeyHHIIATBBZLPMAP-UHFFFAOYSA-N
XLogP1.40
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
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

2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
CID 11053274
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-azido-2-(4-methoxyphenyl)acetic acid
CID 122606952
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10514834
(2S,3S)-2-azido-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
CID 101157836
(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-azido-1-(4-methoxyphenyl)propane-1,3-diol (CID 121485278) is 2-azido-1-(4-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-azido-1-(4-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-azido-1-(4-methoxyphenyl)propane-1,3-diol is COc1ccc(C(O)C(CO)N=[N+]=[N-])cc1.
What is the InChIKey of 2-azido-1-(4-methoxyphenyl)propane-1,3-diol?
The InChIKey is HHIIATBBZLPMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)10(15)9(6-14)12-13-11/h2-5,9-10,14-15H,6H2,1H3.
What are the key properties of 2-azido-1-(4-methoxyphenyl)propane-1,3-diol?
2-azido-1-(4-methoxyphenyl)propane-1,3-diol has a molecular weight of 223.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 121485278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).