[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate

C18H18O5 — CID 14483657

IUPAC[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
SMILESCOC[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C18H18O5/c1-21-12-16(23-18(20)15-10-6-3-7-11-15)13-22-17(19)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m0/s1
InChIKeyBLUYSVGMEMQKJL-INIZCTEOSA-N
MW314.34 g/mol
LogP2.72
Rot. Bonds7

About [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate

[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate (PubChem CID 14483657) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate.

Molecular Properties

Compound Name[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
PubChem CID14483657
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
SMILESCOC[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C18H18O5/c1-21-12-16(23-18(20)15-10-6-3-7-11-15)13-22-17(19)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m0/s1
InChIKeyBLUYSVGMEMQKJL-INIZCTEOSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-benzoyloxy-3-methoxypropyl] 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

(1-hydroxy-3-methoxypropan-2-yl) benzoate
CID 54162892
(2-benzoyloxy-3-phenylpropyl) benzoate
CID 44718260
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2,2-bis(2-methoxyethoxy)ethyl benzoate
CID 10236485
[(2S)-2-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propyl] benzoate
CID 92836325
azane;2-methoxyethyl benzoate
CID 174560204
2,3-bis[(4-tert-butylbenzoyl)oxy]propyl 4-tert-butylbenzoate
CID 21302043
[(2R)-2,4-dibenzoyloxyhex-5-enyl] benzoate
CID 139697958
2,3-bis[(4-carbonochloridoylbenzoyl)oxy]propyl 4-carbonochloridoylbenzoate
CID 102069502
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
2-methoxyethoxymethyl benzoate
CID 11275823
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate?
The IUPAC name of [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate (CID 14483657) is [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate.
What is the SMILES notation for [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate?
The canonical SMILES for [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate is COC[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate?
The InChIKey is BLUYSVGMEMQKJL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-12-16(23-18(20)15-10-6-3-7-11-15)13-22-17(19)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate?
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzoyloxy-3-methoxypropyl] benzoate is sourced from PubChem (CID 14483657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).