2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol

C42H48O6Si — CID 142497056

IUPAC2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
SMILESCOc1ccc(C(OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H48O6Si/c1-41(2,3)49(39-17-11-7-12-18-39,40-19-13-8-14-20-40)48-32-38(46-30-29-43)31-47-42(33-15-9-6-10-16-33,34-21-25-36(44-4)26-22-34)35-23-27-37(45-5)28-24-35/h6-28,38,43H,29-32H2,1-5H3/t38-/m1/s1
InChIKeyCKIHGMADRMNNDU-KXQOOQHDSA-N
MW676.93 g/mol
LogP6.97
Rot. Bonds16

About 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol

2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol (PubChem CID 142497056) has the molecular formula C42H48O6Si and a molecular weight of 676.93 g/mol. Its IUPAC name is 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
PubChem CID142497056
Molecular FormulaC42H48O6Si
Molecular Weight676.93 g/mol
Exact Mass676.32
IUPAC Name2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
SMILESCOc1ccc(C(OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H48O6Si/c1-41(2,3)49(39-17-11-7-12-18-39,40-19-13-8-14-20-40)48-32-38(46-30-29-43)31-47-42(33-15-9-6-10-16-33,34-21-25-36(44-4)26-22-34)35-23-27-37(45-5)28-24-35/h6-28,38,43H,29-32H2,1-5H3/t38-/m1/s1
InChIKeyCKIHGMADRMNNDU-KXQOOQHDSA-N
XLogP6.97
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.93
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[(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
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
(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
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol?
The IUPAC name of 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol (CID 142497056) is 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol?
The canonical SMILES for 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol is COc1ccc(C(OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol?
The InChIKey is CKIHGMADRMNNDU-KXQOOQHDSA-N. The full InChI is InChI=1S/C42H48O6Si/c1-41(2,3)49(39-17-11-7-12-18-39,40-19-13-8-14-20-40)48-32-38(46-30-29-43)31-47-42(33-15-9-6-10-16-33,34-21-25-36(44-4)26-22-34)35-23-27-37(45-5)28-24-35/h6-28,38,43H,29-32H2,1-5H3/t38-/m1/s1.
What are the key properties of 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol?
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol has a molecular weight of 676.93 g/mol, XLogP of 6.97, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol is sourced from PubChem (CID 142497056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).