(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol

C16H27N3O3Si — CID 10664705

IUPAC(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc([C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27N3O3Si/c1-16(2,3)23(5,6)22-11-14(20)15(18-19-17)12-7-9-13(21-4)10-8-12/h7-10,14-15,20H,11H2,1-6H3/t14-,15+/m0/s1
InChIKeyRAZPJEQCCHTQQH-LSDHHAIUSA-N
MW337.50 g/mol
LogP4.43
Rot. Bonds7

About (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol

(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 10664705) has the molecular formula C16H27N3O3Si and a molecular weight of 337.50 g/mol. Its IUPAC name is (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
PubChem CID10664705
Molecular FormulaC16H27N3O3Si
Molecular Weight337.50 g/mol
Exact Mass337.18
IUPAC Name(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc([C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27N3O3Si/c1-16(2,3)23(5,6)22-11-14(20)15(18-19-17)12-7-9-13(21-4)10-8-12/h7-10,14-15,20H,11H2,1-6H3/t14-,15+/m0/s1
InChIKeyRAZPJEQCCHTQQH-LSDHHAIUSA-N
XLogP4.43
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol 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

(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
CID 90032368
(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
CID 57239687
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
CID 90968003
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11774280
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
methyl (2S,3S)-3-azido-2-bromo-3-(4-methoxyphenyl)propanoate
CID 101406820
[(2R,3S,4R)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)-2-methylsulfonyloxypentan-3-yl] acetate
CID 10983934

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol (CID 10664705) is (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol is COc1ccc([C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is RAZPJEQCCHTQQH-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H27N3O3Si/c1-16(2,3)23(5,6)22-11-14(20)15(18-19-17)12-7-9-13(21-4)10-8-12/h7-10,14-15,20H,11H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol?
(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 337.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 10664705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).