2,4-diethoxybenzoate

C11H13O4- — CID 6951194

IUPAC2,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)[O-])c(OCC)c1
InChIInChI=1S/C11H14O4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)/p-1
InChIKeyUQAATGIOFSGRDA-UHFFFAOYSA-M
MW209.22 g/mol
LogP0.85
Rot. Bonds5

About 2,4-diethoxybenzoate

2,4-diethoxybenzoate (PubChem CID 6951194) has the molecular formula C11H13O4- and a molecular weight of 209.22 g/mol. Its IUPAC name is 2,4-diethoxybenzoate.

Molecular Properties

Compound Name2,4-diethoxybenzoate
PubChem CID6951194
Molecular FormulaC11H13O4-
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name2,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)[O-])c(OCC)c1
InChIInChI=1S/C11H14O4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)/p-1
InChIKeyUQAATGIOFSGRDA-UHFFFAOYSA-M
XLogP0.85
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethoxybenzamide
CID 17145726
1-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
2-[1-(dimethylamino)ethyl]-4-ethoxybenzoate
CID 22299754
2-[1-(diethylamino)ethyl]-4-ethoxybenzoate
CID 23616381
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
2-ethoxy-5-(trifluoromethoxy)benzoate
CID 170682099
2,4-dimethoxybenzoate
CID 6947027
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
tris(2,4,6-triethoxyphenyl)sulfanium acetate
CID 161016297

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxybenzoate?
The IUPAC name of 2,4-diethoxybenzoate (CID 6951194) is 2,4-diethoxybenzoate.
What is the SMILES notation for 2,4-diethoxybenzoate?
The canonical SMILES for 2,4-diethoxybenzoate is CCOc1ccc(C(=O)[O-])c(OCC)c1.
What is the InChIKey of 2,4-diethoxybenzoate?
The InChIKey is UQAATGIOFSGRDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2,4-diethoxybenzoate?
2,4-diethoxybenzoate has a molecular weight of 209.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxybenzoate is sourced from PubChem (CID 6951194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).