(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol

C34H40O5Si — CID 58025120

IUPAC(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol
SMILESCOc1c([C@@H](O)COCc2ccccc2)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1OC
InChIInChI=1S/C34H40O5Si/c1-25-31(39-40(34(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28)22-29(33(37-6)32(25)36-5)30(35)24-38-23-26-16-10-7-11-17-26/h7-22,30,35H,23-24H2,1-6H3/t30-/m0/s1
InChIKeyVLBPCGMZDUVDIJ-PMERELPUSA-N
MW556.78 g/mol
LogP6.20
Rot. Bonds11

About (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol

(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol (PubChem CID 58025120) has the molecular formula C34H40O5Si and a molecular weight of 556.78 g/mol. Its IUPAC name is (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol
PubChem CID58025120
Molecular FormulaC34H40O5Si
Molecular Weight556.78 g/mol
Exact Mass556.26
IUPAC Name(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol
SMILESCOc1c([C@@H](O)COCc2ccccc2)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1OC
InChIInChI=1S/C34H40O5Si/c1-25-31(39-40(34(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28)22-29(33(37-6)32(25)36-5)30(35)24-38-23-26-16-10-7-11-17-26/h7-22,30,35H,23-24H2,1-6H3/t30-/m0/s1
InChIKeyVLBPCGMZDUVDIJ-PMERELPUSA-N
XLogP6.20
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.78
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane
CID 11664131
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
CID 173074395
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-phenylmethoxyethane-1,1-diol
CID 59866645
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
(E,2S,6R,7R,8S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyl-9-phenylmethoxynon-4-ene-3,7-diol
CID 135008819

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol?
The IUPAC name of (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol (CID 58025120) is (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol.
What is the SMILES notation for (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol?
The canonical SMILES for (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol is COc1c([C@@H](O)COCc2ccccc2)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c1OC.
What is the InChIKey of (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol?
The InChIKey is VLBPCGMZDUVDIJ-PMERELPUSA-N. The full InChI is InChI=1S/C34H40O5Si/c1-25-31(39-40(34(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28)22-29(33(37-6)32(25)36-5)30(35)24-38-23-26-16-10-7-11-17-26/h7-22,30,35H,23-24H2,1-6H3/t30-/m0/s1.
What are the key properties of (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol?
(1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol has a molecular weight of 556.78 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[tert-butyl(diphenyl)silyl]oxy-2,3-dimethoxy-4-methylphenyl]-2-phenylmethoxyethanol is sourced from PubChem (CID 58025120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).