ethoxyethane benzoate

C11H15O3- — CID 22178435

IUPACethoxyethane benzoate
SMILESCCOCC.O=C([O-])c1ccccc1
InChIInChI=1S/C7H6O2.C4H10O/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,8,9);3-4H2,1-2H3/p-1
InChIKeyTXSFFZYXHRAMBM-UHFFFAOYSA-M
MW195.24 g/mol
LogP1.09
Rot. Bonds3

About ethoxyethane benzoate

ethoxyethane benzoate (PubChem CID 22178435) has the molecular formula C11H15O3- and a molecular weight of 195.24 g/mol. Its IUPAC name is ethoxyethane benzoate.

Molecular Properties

Compound Nameethoxyethane benzoate
PubChem CID22178435
Molecular FormulaC11H15O3-
Molecular Weight195.24 g/mol
Exact Mass195.10
IUPAC Nameethoxyethane benzoate
SMILESCCOCC.O=C([O-])c1ccccc1
InChIInChI=1S/C7H6O2.C4H10O/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,8,9);3-4H2,1-2H3/p-1
InChIKeyTXSFFZYXHRAMBM-UHFFFAOYSA-M
XLogP1.09
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
azanium;ethanol;benzoate
CID 158099559
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
fluoromethane benzoate
CID 162095004
barium(2+) benzoate
CID 22608800
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421

Frequently Asked Questions

What is the IUPAC name of ethoxyethane benzoate?
The IUPAC name of ethoxyethane benzoate (CID 22178435) is ethoxyethane benzoate.
What is the SMILES notation for ethoxyethane benzoate?
The canonical SMILES for ethoxyethane benzoate is CCOCC.O=C([O-])c1ccccc1.
What is the InChIKey of ethoxyethane benzoate?
The InChIKey is TXSFFZYXHRAMBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.C4H10O/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,8,9);3-4H2,1-2H3/p-1.
What are the key properties of ethoxyethane benzoate?
ethoxyethane benzoate has a molecular weight of 195.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane benzoate is sourced from PubChem (CID 22178435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).