6-phenylmethoxy-3H-2-benzofuran-1-one

C15H12O3 — CID 10705194

IUPAC6-phenylmethoxy-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H12O3/c16-15-14-8-13(7-6-12(14)10-18-15)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHUQHGGFJJGKEJU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds3

About 6-phenylmethoxy-3H-2-benzofuran-1-one

6-phenylmethoxy-3H-2-benzofuran-1-one (PubChem CID 10705194) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-phenylmethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-phenylmethoxy-3H-2-benzofuran-1-one
PubChem CID10705194
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name6-phenylmethoxy-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H12O3/c16-15-14-8-13(7-6-12(14)10-18-15)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHUQHGGFJJGKEJU-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 6-phenylmethoxy-3H-2-benzofuran-1-one (CID 10705194) is 6-phenylmethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-phenylmethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 6-phenylmethoxy-3H-2-benzofuran-1-one is O=C1OCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 6-phenylmethoxy-3H-2-benzofuran-1-one?
The InChIKey is HUQHGGFJJGKEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15-14-8-13(7-6-12(14)10-18-15)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 6-phenylmethoxy-3H-2-benzofuran-1-one?
6-phenylmethoxy-3H-2-benzofuran-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 10705194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).