4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol

C25H31NO2Si — CID 72711968

IUPAC4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
SMILESCC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(26)18-20-14-16-22(27)17-15-20/h4-17,21,27H,18-19,26H2,1-3H3/t21-/m0/s1
InChIKeySKJOHTVHIVVTOI-NRFANRHFSA-N
MW405.61 g/mol
LogP3.84
Rot. Bonds7

About 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol

4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol (PubChem CID 72711968) has the molecular formula C25H31NO2Si and a molecular weight of 405.61 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
PubChem CID72711968
Molecular FormulaC25H31NO2Si
Molecular Weight405.61 g/mol
Exact Mass405.21
IUPAC Name4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
SMILESCC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(26)18-20-14-16-22(27)17-15-20/h4-17,21,27H,18-19,26H2,1-3H3/t21-/m0/s1
InChIKeySKJOHTVHIVVTOI-NRFANRHFSA-N
XLogP3.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
4-(2-amino-3-benzylperoxypropyl)phenol
CID 89111499
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol?
The IUPAC name of 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol (CID 72711968) is 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol.
What is the SMILES notation for 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol?
The canonical SMILES for 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol is CC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol?
The InChIKey is SKJOHTVHIVVTOI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31NO2Si/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-21(26)18-20-14-16-22(27)17-15-20/h4-17,21,27H,18-19,26H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol?
4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol has a molecular weight of 405.61 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol is sourced from PubChem (CID 72711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).