4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol

C11H15N3O4 — CID 171879327

IUPAC4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol
SMILESCOc1ccc(O)c(C(O)C(O)CCN=[N+]=[N-])c1
InChIInChI=1S/C11H15N3O4/c1-18-7-2-3-9(15)8(6-7)11(17)10(16)4-5-13-14-12/h2-3,6,10-11,15-17H,4-5H2,1H3
InChIKeyTXWGNOVFORFNOI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.50
Rot. Bonds6

About 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol

4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol (PubChem CID 171879327) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol
PubChem CID171879327
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol
SMILESCOc1ccc(O)c(C(O)C(O)CCN=[N+]=[N-])c1
InChIInChI=1S/C11H15N3O4/c1-18-7-2-3-9(15)8(6-7)11(17)10(16)4-5-13-14-12/h2-3,6,10-11,15-17H,4-5H2,1H3
InChIKeyTXWGNOVFORFNOI-UHFFFAOYSA-N
XLogP1.50
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-azido-1-(2,4-dimethoxyphenyl)butane-1,2-diol
CID 171879758
4-azido-1-(5-chloro-2-hydroxyphenyl)butane-1,2-diol
CID 171879065
1-(2-amino-5-methoxy-3-nitrophenyl)-4-azidobutane-1,2-diol
CID 171880368
4-azido-1-(4-bromo-2-hydroxyphenyl)butane-1,2-diol
CID 171880557
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
4-(4-azido-1,2-dihydroxybutyl)-3-methoxybenzoic acid
CID 171880069
2-(azidomethyl)-4-methoxyphenol
CID 16655853
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
4-azido-1-(2-propan-2-ylphenyl)butane-1,2-diol
CID 171879302
4-azido-1-(2-chloro-5-hydroxyphenyl)butane-1,2-diol
CID 171879057
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol (CID 171879327) is 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol is COc1ccc(O)c(C(O)C(O)CCN=[N+]=[N-])c1.
What is the InChIKey of 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol?
The InChIKey is TXWGNOVFORFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-7-2-3-9(15)8(6-7)11(17)10(16)4-5-13-14-12/h2-3,6,10-11,15-17H,4-5H2,1H3.
What are the key properties of 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol?
4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol has a molecular weight of 253.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 171879327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).