benzhydryl 2-(2-phenoxyacetyl)oxypropanoate

C24H22O5 — CID 14524948

IUPACbenzhydryl 2-(2-phenoxyacetyl)oxypropanoate
SMILESCC(OC(=O)COc1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O5/c1-18(28-22(25)17-27-21-15-9-4-10-16-21)24(26)29-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,23H,17H2,1H3
InChIKeyWBUMGQFPCZYAJT-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.33
Rot. Bonds8

About benzhydryl 2-(2-phenoxyacetyl)oxypropanoate

benzhydryl 2-(2-phenoxyacetyl)oxypropanoate (PubChem CID 14524948) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is benzhydryl 2-(2-phenoxyacetyl)oxypropanoate.

Molecular Properties

Compound Namebenzhydryl 2-(2-phenoxyacetyl)oxypropanoate
PubChem CID14524948
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Namebenzhydryl 2-(2-phenoxyacetyl)oxypropanoate
SMILESCC(OC(=O)COc1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O5/c1-18(28-22(25)17-27-21-15-9-4-10-16-21)24(26)29-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,23H,17H2,1H3
InChIKeyWBUMGQFPCZYAJT-UHFFFAOYSA-N
XLogP4.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzhydryl 2-(2-phenoxyacetyl)oxypropanoate 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

propan-2-yl 2-phenoxyacetate
CID 11367560
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2R)-2-chloropropanoate
CID 14524946
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 9140873
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(2-phenoxyacetyl)oxypropanoate?
The IUPAC name of benzhydryl 2-(2-phenoxyacetyl)oxypropanoate (CID 14524948) is benzhydryl 2-(2-phenoxyacetyl)oxypropanoate.
What is the SMILES notation for benzhydryl 2-(2-phenoxyacetyl)oxypropanoate?
The canonical SMILES for benzhydryl 2-(2-phenoxyacetyl)oxypropanoate is CC(OC(=O)COc1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(2-phenoxyacetyl)oxypropanoate?
The InChIKey is WBUMGQFPCZYAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-18(28-22(25)17-27-21-15-9-4-10-16-21)24(26)29-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,18,23H,17H2,1H3.
What are the key properties of benzhydryl 2-(2-phenoxyacetyl)oxypropanoate?
benzhydryl 2-(2-phenoxyacetyl)oxypropanoate has a molecular weight of 390.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(2-phenoxyacetyl)oxypropanoate is sourced from PubChem (CID 14524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).