3H-2-benzofuran-1-one;phenoxybenzene

C20H16O3 — CID 19981145

IUPAC3H-2-benzofuran-1-one;phenoxybenzene
SMILESO=C1OCc2ccccc21.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-8-7-4-2-1-3-6(7)5-10-8/h1-10H;1-4H,5H2
InChIKeyNGDBDQFXNPAFJD-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.84
Rot. Bonds2

About 3H-2-benzofuran-1-one;phenoxybenzene

3H-2-benzofuran-1-one;phenoxybenzene (PubChem CID 19981145) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3H-2-benzofuran-1-one;phenoxybenzene.

Molecular Properties

Compound Name3H-2-benzofuran-1-one;phenoxybenzene
PubChem CID19981145
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name3H-2-benzofuran-1-one;phenoxybenzene
SMILESO=C1OCc2ccccc21.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-8-7-4-2-1-3-6(7)5-10-8/h1-10H;1-4H,5H2
InChIKeyNGDBDQFXNPAFJD-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-one;phenoxybenzene?
The IUPAC name of 3H-2-benzofuran-1-one;phenoxybenzene (CID 19981145) is 3H-2-benzofuran-1-one;phenoxybenzene.
What is the SMILES notation for 3H-2-benzofuran-1-one;phenoxybenzene?
The canonical SMILES for 3H-2-benzofuran-1-one;phenoxybenzene is O=C1OCc2ccccc21.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3H-2-benzofuran-1-one;phenoxybenzene?
The InChIKey is NGDBDQFXNPAFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C8H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-8-7-4-2-1-3-6(7)5-10-8/h1-10H;1-4H,5H2.
What are the key properties of 3H-2-benzofuran-1-one;phenoxybenzene?
3H-2-benzofuran-1-one;phenoxybenzene has a molecular weight of 304.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-one;phenoxybenzene is sourced from PubChem (CID 19981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).