(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate

C19H18O9 — CID 171476388

IUPAC(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(=O)OC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H18O9/c1-23-11-5-7-13(15(9-11)25-3)17(20)27-19(22)28-18(21)14-8-6-12(24-2)10-16(14)26-4/h5-10H,1-4H3
InChIKeyPZRJBFKQYFCUOG-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.85
Rot. Bonds6

About (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate

(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate (PubChem CID 171476388) has the molecular formula C19H18O9 and a molecular weight of 390.34 g/mol. Its IUPAC name is (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
PubChem CID171476388
Molecular FormulaC19H18O9
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(=O)OC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H18O9/c1-23-11-5-7-13(15(9-11)25-3)17(20)27-19(22)28-18(21)14-8-6-12(24-2)10-16(14)26-4/h5-10H,1-4H3
InChIKeyPZRJBFKQYFCUOG-UHFFFAOYSA-N
XLogP2.85
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
2,4-dimethoxybenzoate
CID 6947027
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
3-hydroxypropyl 2,4-dimethoxybenzoate
CID 116863011
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
[(3S,4R)-4-(2,4-dimethoxybenzoyl)oxythiolan-3-yl] 2,4-dimethoxybenzoate
CID 15869444
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate?
The IUPAC name of (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate (CID 171476388) is (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate.
What is the SMILES notation for (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate?
The canonical SMILES for (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OC(=O)OC(=O)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate?
The InChIKey is PZRJBFKQYFCUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O9/c1-23-11-5-7-13(15(9-11)25-3)17(20)27-19(22)28-18(21)14-8-6-12(24-2)10-16(14)26-4/h5-10H,1-4H3.
What are the key properties of (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate?
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate has a molecular weight of 390.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate is sourced from PubChem (CID 171476388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).