2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol

C13H17N3O2 — CID 134844073

IUPAC2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol
SMILESCC1(C)CC[C@H]([C@H](N=[N+]=[N-])c2ccccc2O)O1
InChIInChI=1S/C13H17N3O2/c1-13(2)8-7-11(18-13)12(15-16-14)9-5-3-4-6-10(9)17/h3-6,11-12,17H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeySNYLTMXKLZBPQJ-VXGBXAGGSA-N
MW247.30 g/mol
LogP3.70
Rot. Bonds3

About 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol

2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol (PubChem CID 134844073) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol
PubChem CID134844073
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol
SMILESCC1(C)CC[C@H]([C@H](N=[N+]=[N-])c2ccccc2O)O1
InChIInChI=1S/C13H17N3O2/c1-13(2)8-7-11(18-13)12(15-16-14)9-5-3-4-6-10(9)17/h3-6,11-12,17H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeySNYLTMXKLZBPQJ-VXGBXAGGSA-N
XLogP3.70
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol?
The IUPAC name of 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol (CID 134844073) is 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol.
What is the SMILES notation for 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol?
The canonical SMILES for 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol is CC1(C)CC[C@H]([C@H](N=[N+]=[N-])c2ccccc2O)O1.
What is the InChIKey of 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol?
The InChIKey is SNYLTMXKLZBPQJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)8-7-11(18-13)12(15-16-14)9-5-3-4-6-10(9)17/h3-6,11-12,17H,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol?
2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol has a molecular weight of 247.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-azido-[(2R)-5,5-dimethyloxolan-2-yl]methyl]phenol is sourced from PubChem (CID 134844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).