[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate

C28H28O7 — CID 139962468

IUPAC[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)OC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C28H28O7/c1-33-27(31)24(18-21-13-7-3-8-14-21)35-28(32)25(19-22-15-9-4-10-16-22)34-26(30)23(29)17-20-11-5-2-6-12-20/h2-16,23-25,29H,17-19H2,1H3
InChIKeyBYVHEYHNGDNFNX-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.07
Rot. Bonds11

About [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate

[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate (PubChem CID 139962468) has the molecular formula C28H28O7 and a molecular weight of 476.53 g/mol. Its IUPAC name is [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate
PubChem CID139962468
Molecular FormulaC28H28O7
Molecular Weight476.53 g/mol
Exact Mass476.18
IUPAC Name[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)OC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C28H28O7/c1-33-27(31)24(18-21-13-7-3-8-14-21)35-28(32)25(19-22-15-9-4-10-16-22)34-26(30)23(29)17-20-11-5-2-6-12-20/h2-16,23-25,29H,17-19H2,1H3
InChIKeyBYVHEYHNGDNFNX-UHFFFAOYSA-N
XLogP3.07
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate 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-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
CID 139962469
methyl 2-(2-hydroxypropoxy)-3-phenylpropanoate
CID 176961822
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
methyl 3-phenyl-2-triphenylstannylpropanoate
CID 15065445
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-[benzyl(methyl)phosphoryl]oxy-3-phenylpropanoate
CID 19936060
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate?
The IUPAC name of [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate (CID 139962468) is [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate?
The canonical SMILES for [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)OC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1.
What is the InChIKey of [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate?
The InChIKey is BYVHEYHNGDNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O7/c1-33-27(31)24(18-21-13-7-3-8-14-21)35-28(32)25(19-22-15-9-4-10-16-22)34-26(30)23(29)17-20-11-5-2-6-12-20/h2-16,23-25,29H,17-19H2,1H3.
What are the key properties of [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate?
[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate has a molecular weight of 476.53 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 139962468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).