[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C27H30O9 — CID 29182803

IUPAC[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C27H30O9/c28-21(15-35-26(29)19-5-9-22(10-6-19)33-17-24-3-1-13-31-24)16-36-27(30)20-7-11-23(12-8-20)34-18-25-4-2-14-32-25/h5-12,24-25H,1-4,13-18H2/t24-,25-/m1/s1
InChIKeyBBQQZIUUMDBHPO-JWQCQUIFSA-N
MW498.53 g/mol
LogP3.39
Rot. Bonds12

About [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 29182803) has the molecular formula C27H30O9 and a molecular weight of 498.53 g/mol. Its IUPAC name is [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID29182803
Molecular FormulaC27H30O9
Molecular Weight498.53 g/mol
Exact Mass498.19
IUPAC Name[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C27H30O9/c28-21(15-35-26(29)19-5-9-22(10-6-19)33-17-24-3-1-13-31-24)16-36-27(30)20-7-11-23(12-8-20)34-18-25-4-2-14-32-25/h5-12,24-25H,1-4,13-18H2/t24-,25-/m1/s1
InChIKeyBBQQZIUUMDBHPO-JWQCQUIFSA-N
XLogP3.39
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
[2-(1-adamantyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4651860
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2626007
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
2-(4-cyanophenoxy)ethyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46793890
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2113657
[2-(1-adamantylamino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445470
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2559601
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7444728
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445473

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 29182803) is [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is BBQQZIUUMDBHPO-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H30O9/c28-21(15-35-26(29)19-5-9-22(10-6-19)33-17-24-3-1-13-31-24)16-36-27(30)20-7-11-23(12-8-20)34-18-25-4-2-14-32-25/h5-12,24-25H,1-4,13-18H2/t24-,25-/m1/s1.
What are the key properties of [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 498.53 g/mol, XLogP of 3.39, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 29182803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).