(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol

C40H44O5Si — CID 142497064

IUPAC(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
SMILESCOc1ccc(C(OC[C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H44O5Si/c1-39(2,3)46(37-17-11-7-12-18-37,38-19-13-8-14-20-38)45-30-34(41)29-44-40(31-15-9-6-10-16-31,32-21-25-35(42-4)26-22-32)33-23-27-36(43-5)28-24-33/h6-28,34,41H,29-30H2,1-5H3/t34-/m0/s1
InChIKeyYUEWUPGZROOHIH-UMSFTDKQSA-N
MW632.87 g/mol
LogP6.95
Rot. Bonds13

About (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol

(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol (PubChem CID 142497064) has the molecular formula C40H44O5Si and a molecular weight of 632.87 g/mol. Its IUPAC name is (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
PubChem CID142497064
Molecular FormulaC40H44O5Si
Molecular Weight632.87 g/mol
Exact Mass632.30
IUPAC Name(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
SMILESCOc1ccc(C(OC[C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H44O5Si/c1-39(2,3)46(37-17-11-7-12-18-37,38-19-13-8-14-20-38)45-30-34(41)29-44-40(31-15-9-6-10-16-31,32-21-25-35(42-4)26-22-32)33-23-27-36(43-5)28-24-33/h6-28,34,41H,29-30H2,1-5H3/t34-/m0/s1
InChIKeyYUEWUPGZROOHIH-UMSFTDKQSA-N
XLogP6.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.87
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 176837310
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 154592632
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol?
The IUPAC name of (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol (CID 142497064) is (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol.
What is the SMILES notation for (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol?
The canonical SMILES for (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol is COc1ccc(C(OC[C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol?
The InChIKey is YUEWUPGZROOHIH-UMSFTDKQSA-N. The full InChI is InChI=1S/C40H44O5Si/c1-39(2,3)46(37-17-11-7-12-18-37,38-19-13-8-14-20-38)45-30-34(41)29-44-40(31-15-9-6-10-16-31,32-21-25-35(42-4)26-22-32)33-23-27-36(43-5)28-24-33/h6-28,34,41H,29-30H2,1-5H3/t34-/m0/s1.
What are the key properties of (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol?
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol has a molecular weight of 632.87 g/mol, XLogP of 6.95, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol is sourced from PubChem (CID 142497064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).