1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate

C26H24O9 — CID 71068223

IUPAC1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
SMILESCOc1ccccc1C(=O)OCC(COC(=O)c1ccccc1OC)OC(=O)c1ccccc1O
InChIInChI=1S/C26H24O9/c1-31-22-13-7-4-10-19(22)24(28)33-15-17(35-26(30)18-9-3-6-12-21(18)27)16-34-25(29)20-11-5-8-14-23(20)32-2/h3-14,17,27H,15-16H2,1-2H3
InChIKeyCYOVXRAMEMJZHX-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.65
Rot. Bonds10

About 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate

1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate (PubChem CID 71068223) has the molecular formula C26H24O9 and a molecular weight of 480.47 g/mol. Its IUPAC name is 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
PubChem CID71068223
Molecular FormulaC26H24O9
Molecular Weight480.47 g/mol
Exact Mass480.14
IUPAC Name1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
SMILESCOc1ccccc1C(=O)OCC(COC(=O)c1ccccc1OC)OC(=O)c1ccccc1O
InChIInChI=1S/C26H24O9/c1-31-22-13-7-4-10-19(22)24(28)33-15-17(35-26(30)18-9-3-6-12-21(18)27)16-34-25(29)20-11-5-8-14-23(20)32-2/h3-14,17,27H,15-16H2,1-2H3
InChIKeyCYOVXRAMEMJZHX-UHFFFAOYSA-N
XLogP3.65
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554
pentadecan-5-yl 2-methoxybenzoate
CID 531554
[(2R)-1-cyanobutan-2-yl] 2-methoxybenzoate
CID 99790575
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
[2-(2-hydroxypropoxy)-3-(2-octan-3-yloxycarbonylphenoxy)propyl] 2-hydroxybenzoate
CID 91069074
tetradecan-4-yl 2-methoxybenzoate
CID 531550
2-oxoethyl 2-methoxybenzoate
CID 87871956
[2-(3-oxobutanoyloxy)benzoyl]oxymethyl 2-methoxybenzoate
CID 59168438
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
3-(2-methoxybenzoyl)oxy-4-(trimethylazaniumyl)butanoate
CID 67858828
ethane;methyl 2-methoxybenzoate
CID 178037044

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate?
The IUPAC name of 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate (CID 71068223) is 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate?
The canonical SMILES for 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate is COc1ccccc1C(=O)OCC(COC(=O)c1ccccc1OC)OC(=O)c1ccccc1O.
What is the InChIKey of 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate?
The InChIKey is CYOVXRAMEMJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O9/c1-31-22-13-7-4-10-19(22)24(28)33-15-17(35-26(30)18-9-3-6-12-21(18)27)16-34-25(29)20-11-5-8-14-23(20)32-2/h3-14,17,27H,15-16H2,1-2H3.
What are the key properties of 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate?
1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate has a molecular weight of 480.47 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 71068223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).