(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol

C15H13N3O — CID 135022263

IUPAC(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol
SMILES[N-]=[N+]=N[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C15H13N3O/c16-18-17-14-12-9-5-4-8-11(12)13(15(14)19)10-6-2-1-3-7-10/h1-9,13-15,19H/t13-,14+,15+/m0/s1
InChIKeyLOOOSYPMHULOBQ-RRFJBIMHSA-N
MW251.29 g/mol
LogP3.54
Rot. Bonds2

About (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol

(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol (PubChem CID 135022263) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol
PubChem CID135022263
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol
SMILES[N-]=[N+]=N[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C15H13N3O/c16-18-17-14-12-9-5-4-8-11(12)13(15(14)19)10-6-2-1-3-7-10/h1-9,13-15,19H/t13-,14+,15+/m0/s1
InChIKeyLOOOSYPMHULOBQ-RRFJBIMHSA-N
XLogP3.54
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1aR,6S,6aS)-6-azido-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 10442175
(3S,4S)-4-azido-3-phenyl-3,4-dihydroisochromen-1-one
CID 57331975
6,13-diazido-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-5,12-diol
CID 12884697
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
CID 167482973
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran
CID 71390027
5-azido-2-phenyl-1,3-dioxane
CID 59511058
(3R,4R)-3-azido-2-oxo-4-phenylazetidine-1-sulfonic acid
CID 18598723
(3R,4S)-3-azido-2-oxo-4-phenylazetidine-1-sulfonic acid
CID 18598719
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
(10S,11R)-10-azido-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-11-ol
CID 11724683
2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
CID 135064362

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol (CID 135022263) is (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol is [N-]=[N+]=N[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LOOOSYPMHULOBQ-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H13N3O/c16-18-17-14-12-9-5-4-8-11(12)13(15(14)19)10-6-2-1-3-7-10/h1-9,13-15,19H/t13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol?
(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 251.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 135022263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).