(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol

C29H28O3 — CID 11582634

IUPAC(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28O3/c30-28(22-31-21-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30H,21-23H2/t28-/m0/s1
InChIKeyMLQDAFOUXAGGMS-NDEPHWFRSA-N
MW424.54 g/mol
LogP5.57
Rot. Bonds10

About (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol

(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol (PubChem CID 11582634) has the molecular formula C29H28O3 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
PubChem CID11582634
Molecular FormulaC29H28O3
Molecular Weight424.54 g/mol
Exact Mass424.20
IUPAC Name(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28O3/c30-28(22-31-21-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30H,21-23H2/t28-/m0/s1
InChIKeyMLQDAFOUXAGGMS-NDEPHWFRSA-N
XLogP5.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
1,4-ditrityloxybutan-2-ol
CID 13443283
4-trityloxybutane-1,3-diol
CID 14027583
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
CID 172760983
CID 172760983
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol?
The IUPAC name of (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol (CID 11582634) is (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol?
The canonical SMILES for (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol is O[C@@H](COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol?
The InChIKey is MLQDAFOUXAGGMS-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H28O3/c30-28(22-31-21-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30H,21-23H2/t28-/m0/s1.
What are the key properties of (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol?
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol has a molecular weight of 424.54 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylmethoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 11582634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).