(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol

C12H9N3O2 — CID 151477234

IUPAC(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
SMILES[N-]=[N+]=N[C@@H]1c2oc3ccccc3c2C=C[C@H]1O
InChIInChI=1S/C12H9N3O2/c13-15-14-11-9(16)6-5-8-7-3-1-2-4-10(7)17-12(8)11/h1-6,9,11,16H/t9-,11+/m1/s1
InChIKeyPLSBWCAVIUZGBU-KOLCDFICSA-N
MW227.22 g/mol
LogP3.17
Rot. Bonds1

About (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol

(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol (PubChem CID 151477234) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
PubChem CID151477234
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
SMILES[N-]=[N+]=N[C@@H]1c2oc3ccccc3c2C=C[C@H]1O
InChIInChI=1S/C12H9N3O2/c13-15-14-11-9(16)6-5-8-7-3-1-2-4-10(7)17-12(8)11/h1-6,9,11,16H/t9-,11+/m1/s1
InChIKeyPLSBWCAVIUZGBU-KOLCDFICSA-N
XLogP3.17
TPSA82.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone
CID 170228939
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672
cyclohepta[b][1]benzofuran;ethane
CID 145276239
cyclohepta[b][1]benzofuran
CID 145276240
[amino(3,4-dihydrodibenzofuran-4-yl)methyl]-[amino(phenyl)methyl]azanide
CID 163919824
dibenzofuran;ethanol
CID 174821059
6,13-diazido-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-5,12-diol
CID 12884697
2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide
CID 143411169
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol?
The IUPAC name of (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol (CID 151477234) is (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol.
What is the SMILES notation for (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol?
The canonical SMILES for (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol is [N-]=[N+]=N[C@@H]1c2oc3ccccc3c2C=C[C@H]1O.
What is the InChIKey of (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol?
The InChIKey is PLSBWCAVIUZGBU-KOLCDFICSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-15-14-11-9(16)6-5-8-7-3-1-2-4-10(7)17-12(8)11/h1-6,9,11,16H/t9-,11+/m1/s1.
What are the key properties of (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol?
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol has a molecular weight of 227.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol is sourced from PubChem (CID 151477234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).