(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol

C35H42O5Si — CID 11387547

IUPAC(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(OCc2ccccc2)ccc1C[C@H](O)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C35H42O5Si/c1-35(2,3)41(4,5)40-33-23-31(39-25-27-14-10-7-11-15-27)21-18-29(33)22-32(36)34(37)28-16-19-30(20-17-28)38-24-26-12-8-6-9-13-26/h6-21,23,32,34,36-37H,22,24-25H2,1-5H3/t32-,34-/m0/s1
InChIKeySJTBHWTUVCRKTM-TWJUONSBSA-N
MW570.80 g/mol
LogP7.87
Rot. Bonds12

About (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol

(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol (PubChem CID 11387547) has the molecular formula C35H42O5Si and a molecular weight of 570.80 g/mol. Its IUPAC name is (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
PubChem CID11387547
Molecular FormulaC35H42O5Si
Molecular Weight570.80 g/mol
Exact Mass570.28
IUPAC Name(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(OCc2ccccc2)ccc1C[C@H](O)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C35H42O5Si/c1-35(2,3)41(4,5)40-33-23-31(39-25-27-14-10-7-11-15-27)21-18-29(33)22-32(36)34(37)28-16-19-30(20-17-28)38-24-26-12-8-6-9-13-26/h6-21,23,32,34,36-37H,22,24-25H2,1-5H3/t32-,34-/m0/s1
InChIKeySJTBHWTUVCRKTM-TWJUONSBSA-N
XLogP7.87
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol 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

(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
CID 71251677
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-6-phenylmethoxyphenyl]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 102101367
(1S,2S)-3-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 11478558
4-bromo-1-(4-phenylmethoxyphenyl)butane-1,2-diol
CID 171893021
(1S,2S)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[4-(methoxymethoxy)phenyl]propane-1,2-diol
CID 10993232
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098
[3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol?
The IUPAC name of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol (CID 11387547) is (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol?
The canonical SMILES for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol is CC(C)(C)[Si](C)(C)Oc1cc(OCc2ccccc2)ccc1C[C@H](O)[C@@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol?
The InChIKey is SJTBHWTUVCRKTM-TWJUONSBSA-N. The full InChI is InChI=1S/C35H42O5Si/c1-35(2,3)41(4,5)40-33-23-31(39-25-27-14-10-7-11-15-27)21-18-29(33)22-32(36)34(37)28-16-19-30(20-17-28)38-24-26-12-8-6-9-13-26/h6-21,23,32,34,36-37H,22,24-25H2,1-5H3/t32-,34-/m0/s1.
What are the key properties of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol?
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol has a molecular weight of 570.80 g/mol, XLogP of 7.87, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 11387547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).