ethyl 2-hydroxy-3-trityloxypropanoate

C24H24O4 — CID 139757366

IUPACethyl 2-hydroxy-3-trityloxypropanoate
SMILESCCOC(=O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O4/c1-2-27-23(26)22(25)18-28-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3
InChIKeyXRJKKXHZANVAKU-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.92
Rot. Bonds8

About ethyl 2-hydroxy-3-trityloxypropanoate

ethyl 2-hydroxy-3-trityloxypropanoate (PubChem CID 139757366) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-trityloxypropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-trityloxypropanoate
PubChem CID139757366
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Nameethyl 2-hydroxy-3-trityloxypropanoate
SMILESCCOC(=O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O4/c1-2-27-23(26)22(25)18-28-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3
InChIKeyXRJKKXHZANVAKU-UHFFFAOYSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
ethyl 4-amino-2-hydroxy-4-phenylbutanoate
CID 141301559
1-trityloxyoctadecan-2-ol
CID 10436974
tert-butyl 2-amino-3-trityloxypropanoate
CID 68760349
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-trityloxypropanoate?
The IUPAC name of ethyl 2-hydroxy-3-trityloxypropanoate (CID 139757366) is ethyl 2-hydroxy-3-trityloxypropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-trityloxypropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-trityloxypropanoate is CCOC(=O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-3-trityloxypropanoate?
The InChIKey is XRJKKXHZANVAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-2-27-23(26)22(25)18-28-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-trityloxypropanoate?
ethyl 2-hydroxy-3-trityloxypropanoate has a molecular weight of 376.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-trityloxypropanoate is sourced from PubChem (CID 139757366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).