[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate

C30H26O5 — CID 14638453

IUPAC[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate
SMILESO=C(OC[C@@H](OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O5/c31-29(25-17-9-3-10-18-25)34-22-27(33-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)35-30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28+/m1/s1
InChIKeyQKCLVJOGSQAOGI-IZLXSDGUSA-N
MW466.53 g/mol
LogP6.03
Rot. Bonds10

About [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate

[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate (PubChem CID 14638453) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate.

Molecular Properties

Compound Name[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate
PubChem CID14638453
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate
SMILESO=C(OC[C@@H](OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O5/c31-29(25-17-9-3-10-18-25)34-22-27(33-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)35-30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28+/m1/s1
InChIKeyQKCLVJOGSQAOGI-IZLXSDGUSA-N
XLogP6.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate 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

[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
[(2S,3R)-2-benzamido-3-benzoyloxy-3-phenylpropyl] benzoate
CID 7037553
[2-phenyl-2-[4-(propan-2-yloxymethyl)benzoyl]oxyethyl] 4-(propan-2-yloxymethyl)benzoate
CID 57289114
(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
1-phenylmethoxyethyl benzoate
CID 147024135
benzyl benzoate
CID 2345
[(2R,3R,4S)-2,3,4-tribenzoyloxy-5-phenylmethoxyiminopentyl] benzoate
CID 131883942
[6-oxo-6-phenyl-1,3,4-tris(phenylmethoxy)hexan-2-yl] benzoate
CID 5084613
(2-benzoyloxy-3-phenylpropyl) benzoate
CID 44718260
[(2S,3R)-2,3-dibenzoyloxy-5-hydroxypentyl] benzoate
CID 71606155
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
(3-oxo-2-phenylpropyl) benzoate
CID 57075973

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate?
The IUPAC name of [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate (CID 14638453) is [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate.
What is the SMILES notation for [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate?
The canonical SMILES for [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate is O=C(OC[C@@H](OCc1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate?
The InChIKey is QKCLVJOGSQAOGI-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H26O5/c31-29(25-17-9-3-10-18-25)34-22-27(33-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)35-30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28+/m1/s1.
What are the key properties of [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate?
[(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate has a molecular weight of 466.53 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-benzoyloxy-3-phenyl-2-phenylmethoxypropyl] benzoate is sourced from PubChem (CID 14638453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).