1-chloroethyl (2R)-2-trityloxypropanoate

C24H23ClO3 — CID 155219631

IUPAC1-chloroethyl (2R)-2-trityloxypropanoate
SMILESCC(Cl)OC(=O)[C@@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClO3/c1-18(23(26)27-19(2)25)28-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/t18-,19?/m1/s1
InChIKeyDZLKDAOLYCEWRU-MRTLOADZSA-N
MW394.90 g/mol
LogP5.51
Rot. Bonds7

About 1-chloroethyl (2R)-2-trityloxypropanoate

1-chloroethyl (2R)-2-trityloxypropanoate (PubChem CID 155219631) has the molecular formula C24H23ClO3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-chloroethyl (2R)-2-trityloxypropanoate.

Molecular Properties

Compound Name1-chloroethyl (2R)-2-trityloxypropanoate
PubChem CID155219631
Molecular FormulaC24H23ClO3
Molecular Weight394.90 g/mol
Exact Mass394.13
IUPAC Name1-chloroethyl (2R)-2-trityloxypropanoate
SMILESCC(Cl)OC(=O)[C@@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClO3/c1-18(23(26)27-19(2)25)28-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/t18-,19?/m1/s1
InChIKeyDZLKDAOLYCEWRU-MRTLOADZSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloroethyl (2R)-2-trityloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,5S)-3-methoxy-4-oxo-5-trityloxyhex-2-enal
CID 101479389
ditert-butyl 2-[(1S,2S)-1-hydroxy-2-trityloxypropyl]propanedioate
CID 11114188
ditrityl 2-chloropropanedioate
CID 139617895
1-chloroethyl 1-phenylethyl carbonate
CID 119090813
(2S)-2-trityloxypropanal
CID 11834057
methyl (2S,3R)-2-(2-aminobutanoylamino)-3-trityloxybutanoate
CID 59278497
lithium (2S)-3-methoxy-2-trityloxypropanoate
CID 156723269
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
CID 141332550
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
CID 124561868

Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl (2R)-2-trityloxypropanoate?
The IUPAC name of 1-chloroethyl (2R)-2-trityloxypropanoate (CID 155219631) is 1-chloroethyl (2R)-2-trityloxypropanoate.
What is the SMILES notation for 1-chloroethyl (2R)-2-trityloxypropanoate?
The canonical SMILES for 1-chloroethyl (2R)-2-trityloxypropanoate is CC(Cl)OC(=O)[C@@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloroethyl (2R)-2-trityloxypropanoate?
The InChIKey is DZLKDAOLYCEWRU-MRTLOADZSA-N. The full InChI is InChI=1S/C24H23ClO3/c1-18(23(26)27-19(2)25)28-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/t18-,19?/m1/s1.
What are the key properties of 1-chloroethyl (2R)-2-trityloxypropanoate?
1-chloroethyl (2R)-2-trityloxypropanoate has a molecular weight of 394.90 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl (2R)-2-trityloxypropanoate is sourced from PubChem (CID 155219631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).