6-(2-phenylethoxy)-3H-2-benzofuran-1-one

C16H14O3 — CID 71559912

IUPAC6-(2-phenylethoxy)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C16H14O3/c17-16-15-10-14(7-6-13(15)11-19-16)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyIRLJECRDQFRUJE-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.98
Rot. Bonds4

About 6-(2-phenylethoxy)-3H-2-benzofuran-1-one

6-(2-phenylethoxy)-3H-2-benzofuran-1-one (PubChem CID 71559912) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6-(2-phenylethoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(2-phenylethoxy)-3H-2-benzofuran-1-one
PubChem CID71559912
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name6-(2-phenylethoxy)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C16H14O3/c17-16-15-10-14(7-6-13(15)11-19-16)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyIRLJECRDQFRUJE-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 6-(2-phenylethoxy)-3H-2-benzofuran-1-one (CID 71559912) is 6-(2-phenylethoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-(2-phenylethoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-(2-phenylethoxy)-3H-2-benzofuran-1-one is O=C1OCc2ccc(OCCc3ccccc3)cc21.
What is the InChIKey of 6-(2-phenylethoxy)-3H-2-benzofuran-1-one?
The InChIKey is IRLJECRDQFRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-16-15-10-14(7-6-13(15)11-19-16)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 6-(2-phenylethoxy)-3H-2-benzofuran-1-one?
6-(2-phenylethoxy)-3H-2-benzofuran-1-one has a molecular weight of 254.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 71559912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).