2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate

C19H20O6 — CID 90778073

IUPAC2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(C)OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O6/c1-13(25-19(21)15-6-10-17(23-3)11-7-15)12-24-18(20)14-4-8-16(22-2)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeySDFBFCULBLYIAH-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.11
Rot. Bonds7

About 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate

2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate (PubChem CID 90778073) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
PubChem CID90778073
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(C)OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O6/c1-13(25-19(21)15-6-10-17(23-3)11-7-15)12-24-18(20)14-4-8-16(22-2)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeySDFBFCULBLYIAH-UHFFFAOYSA-N
XLogP3.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2-[4-(2-methylbutoxy)benzoyl]oxypropyl 4-(2-methylbutoxy)benzoate
CID 19742449
bis[(2S)-2-acetyloxypropyl] benzene-1,4-dicarboxylate
CID 67865625
bis[2-(4-hexoxybenzoyl)oxypropyl] benzene-1,4-dicarboxylate
CID 101497690
(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
CID 144581628
1-hydroxyethyl 4-methoxybenzoate
CID 67719638
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
2-(4-bromobenzoyl)oxypropyl 4-bromobenzoate;propane-1,2-diol
CID 69211653
2-methylpropyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 17149601
[(1S)-1,2-dimethoxyethyl] 4-methoxybenzoate
CID 125479255

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate?
The IUPAC name of 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate (CID 90778073) is 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate.
What is the SMILES notation for 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate?
The canonical SMILES for 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate is COc1ccc(C(=O)OCC(C)OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate?
The InChIKey is SDFBFCULBLYIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-13(25-19(21)15-6-10-17(23-3)11-7-15)12-24-18(20)14-4-8-16(22-2)9-5-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate?
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate has a molecular weight of 344.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate is sourced from PubChem (CID 90778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).