2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride

C15H15ClN2O — CID 139215082

IUPAC2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride
SMILESN#[N+]c1ccccc1C(CO)Cc1ccccc1.[Cl-]
InChIInChI=1S/C15H15N2O.ClH/c16-17-15-9-5-4-8-14(15)13(11-18)10-12-6-2-1-3-7-12;/h1-9,13,18H,10-11H2;1H/q+1;/p-1
InChIKeyYLJRMSVZTNSWBJ-UHFFFAOYSA-M
MW274.75 g/mol
LogP0.49
Rot. Bonds4

About 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride

2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride (PubChem CID 139215082) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride.

Molecular Properties

Compound Name2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride
PubChem CID139215082
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride
SMILESN#[N+]c1ccccc1C(CO)Cc1ccccc1.[Cl-]
InChIInChI=1S/C15H15N2O.ClH/c16-17-15-9-5-4-8-14(15)13(11-18)10-12-6-2-1-3-7-12;/h1-9,13,18H,10-11H2;1H/q+1;/p-1
InChIKeyYLJRMSVZTNSWBJ-UHFFFAOYSA-M
XLogP0.49
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
(2S)-2-benzylbut-3-en-1-ol
CID 11084196
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
2-sulfanylbenzenediazonium chloride
CID 158363309
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
1,3-diphenylpropane-2-sulfonamide
CID 62084735
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride?
The IUPAC name of 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride (CID 139215082) is 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride.
What is the SMILES notation for 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride?
The canonical SMILES for 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride is N#[N+]c1ccccc1C(CO)Cc1ccccc1.[Cl-].
What is the InChIKey of 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride?
The InChIKey is YLJRMSVZTNSWBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N2O.ClH/c16-17-15-9-5-4-8-14(15)13(11-18)10-12-6-2-1-3-7-12;/h1-9,13,18H,10-11H2;1H/q+1;/p-1.
What are the key properties of 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride?
2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride has a molecular weight of 274.75 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride is sourced from PubChem (CID 139215082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).