2-benzoyloxyethyl 2,3,4-trimethoxybenzoate

C19H20O7 — CID 30194766

IUPAC2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCOC(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H20O7/c1-22-15-10-9-14(16(23-2)17(15)24-3)19(21)26-12-11-25-18(20)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3
InChIKeyQKMYKELKORWUSH-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.73
Rot. Bonds8

About 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate

2-benzoyloxyethyl 2,3,4-trimethoxybenzoate (PubChem CID 30194766) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
PubChem CID30194766
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCOC(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H20O7/c1-22-15-10-9-14(16(23-2)17(15)24-3)19(21)26-12-11-25-18(20)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3
InChIKeyQKMYKELKORWUSH-UHFFFAOYSA-N
XLogP2.73
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
[(Z)-[amino(phenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19290138
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 7976840
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,3,4-trimethoxybenzoate
CID 7758365
(6-acetyl-2,3-dimethoxyphenyl) benzoate
CID 118066026
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
2-(3-chlorophenoxy)ethyl 2,3,4-trimethoxybenzoate
CID 16523899
azane;2-methoxyethyl benzoate
CID 174560204
2-(4-chlorophenyl)sulfanylethyl 2,3,4-trimethoxybenzoate
CID 7698513

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate?
The IUPAC name of 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate (CID 30194766) is 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate.
What is the SMILES notation for 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate?
The canonical SMILES for 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCCOC(=O)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate?
The InChIKey is QKMYKELKORWUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-22-15-10-9-14(16(23-2)17(15)24-3)19(21)26-12-11-25-18(20)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate?
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate has a molecular weight of 360.36 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 30194766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).