(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate

C14H16O7 — CID 23847503

IUPAC(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OC2CCOC2=O)c(OC)c1OC
InChIInChI=1S/C14H16O7/c1-17-9-5-4-8(11(18-2)12(9)19-3)13(15)21-10-6-7-20-14(10)16/h4-5,10H,6-7H2,1-3H3
InChIKeyLDBZMITXVZQMHO-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.18
Rot. Bonds5

About (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate

(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate (PubChem CID 23847503) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate
PubChem CID23847503
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OC2CCOC2=O)c(OC)c1OC
InChIInChI=1S/C14H16O7/c1-17-9-5-4-8(11(18-2)12(9)19-3)13(15)21-10-6-7-20-14(10)16/h4-5,10H,6-7H2,1-3H3
InChIKeyLDBZMITXVZQMHO-UHFFFAOYSA-N
XLogP1.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate?
The IUPAC name of (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate (CID 23847503) is (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OC2CCOC2=O)c(OC)c1OC.
What is the InChIKey of (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate?
The InChIKey is LDBZMITXVZQMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c1-17-9-5-4-8(11(18-2)12(9)19-3)13(15)21-10-6-7-20-14(10)16/h4-5,10H,6-7H2,1-3H3.
What are the key properties of (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate?
(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate has a molecular weight of 296.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 23847503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).