(1R)-2-azido-1-(4-phenylphenyl)ethanol

C14H13N3O — CID 83092866

IUPAC(1R)-2-azido-1-(4-phenylphenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c15-17-16-10-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18H,10H2/t14-/m0/s1
InChIKeyAQKAKDUXLNLODU-AWEZNQCLSA-N
MW239.28 g/mol
LogP3.70
Rot. Bonds4

About (1R)-2-azido-1-(4-phenylphenyl)ethanol

(1R)-2-azido-1-(4-phenylphenyl)ethanol (PubChem CID 83092866) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (1R)-2-azido-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(4-phenylphenyl)ethanol
PubChem CID83092866
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(1R)-2-azido-1-(4-phenylphenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c15-17-16-10-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18H,10H2/t14-/m0/s1
InChIKeyAQKAKDUXLNLODU-AWEZNQCLSA-N
XLogP3.70
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.70
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

4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-azido-1-[4-(2-methylpropyl)phenyl]ethanol
CID 80503327
2-azido-1-(9H-carbazol-2-yl)ethanol
CID 3878794
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
N-[4-(2-azido-1-hydroxyethyl)phenyl]methanesulfonamide
CID 90989606
2-azido-1-(2-bromophenyl)ethanol
CID 57429240
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103
(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 86605117
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(4-phenylphenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(4-phenylphenyl)ethanol (CID 83092866) is (1R)-2-azido-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(4-phenylphenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(4-phenylphenyl)ethanol is [N-]=[N+]=NC[C@H](O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1R)-2-azido-1-(4-phenylphenyl)ethanol?
The InChIKey is AQKAKDUXLNLODU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13N3O/c15-17-16-10-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18H,10H2/t14-/m0/s1.
What are the key properties of (1R)-2-azido-1-(4-phenylphenyl)ethanol?
(1R)-2-azido-1-(4-phenylphenyl)ethanol has a molecular weight of 239.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 83092866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).