3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol

C14H20O5 — CID 162151993

IUPAC3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol
SMILESCCOCCOCCO.O=C1OCc2ccccc21
InChIInChI=1S/C8H6O2.C6H14O3/c9-8-7-4-2-1-3-6(7)5-10-8;1-2-8-5-6-9-4-3-7/h1-4H,5H2;7H,2-6H2,1H3
InChIKeyZLIJLPPRBINBEX-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.39
Rot. Bonds6

About 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol

3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol (PubChem CID 162151993) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol.

Molecular Properties

Compound Name3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol
PubChem CID162151993
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol
SMILESCCOCCOCCO.O=C1OCc2ccccc21
InChIInChI=1S/C8H6O2.C6H14O3/c9-8-7-4-2-1-3-6(7)5-10-8;1-2-8-5-6-9-4-3-7/h1-4H,5H2;7H,2-6H2,1H3
InChIKeyZLIJLPPRBINBEX-UHFFFAOYSA-N
XLogP1.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol?
The IUPAC name of 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol (CID 162151993) is 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol.
What is the SMILES notation for 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol?
The canonical SMILES for 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol is CCOCCOCCO.O=C1OCc2ccccc21.
What is the InChIKey of 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol?
The InChIKey is ZLIJLPPRBINBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C6H14O3/c9-8-7-4-2-1-3-6(7)5-10-8;1-2-8-5-6-9-4-3-7/h1-4H,5H2;7H,2-6H2,1H3.
What are the key properties of 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol?
3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol has a molecular weight of 268.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-one;2-(2-ethoxyethoxy)ethanol is sourced from PubChem (CID 162151993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).