4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one

C16H14O4 — CID 69111833

IUPAC4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2cccc(OCCO)c2C1c1ccccc1
InChIInChI=1S/C16H14O4/c17-9-10-19-12-7-4-8-13-15(12)14(16(18)20-13)11-5-2-1-3-6-11/h1-8,14,17H,9-10H2
InChIKeyPFAIACGJJOLUOX-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.11
Rot. Bonds4

About 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one

4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one (PubChem CID 69111833) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one
PubChem CID69111833
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2cccc(OCCO)c2C1c1ccccc1
InChIInChI=1S/C16H14O4/c17-9-10-19-12-7-4-8-13-15(12)14(16(18)20-13)11-5-2-1-3-6-11/h1-8,14,17H,9-10H2
InChIKeyPFAIACGJJOLUOX-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one (CID 69111833) is 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one is O=C1Oc2cccc(OCCO)c2C1c1ccccc1.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one?
The InChIKey is PFAIACGJJOLUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-9-10-19-12-7-4-8-13-15(12)14(16(18)20-13)11-5-2-1-3-6-11/h1-8,14,17H,9-10H2.
What are the key properties of 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one?
4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one has a molecular weight of 270.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 69111833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).