6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one

C21H16O4 — CID 57414824

IUPAC6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one
SMILESCOc1ccccc1C1(c2ccccc2)C(=O)Oc2cc(O)ccc21
InChIInChI=1S/C21H16O4/c1-24-18-10-6-5-9-16(18)21(14-7-3-2-4-8-14)17-12-11-15(22)13-19(17)25-20(21)23/h2-13,22H,1H3
InChIKeyFLVNXGADSPXCGG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.65
Rot. Bonds3

About 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one

6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one (PubChem CID 57414824) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one
PubChem CID57414824
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one
SMILESCOc1ccccc1C1(c2ccccc2)C(=O)Oc2cc(O)ccc21
InChIInChI=1S/C21H16O4/c1-24-18-10-6-5-9-16(18)21(14-7-3-2-4-8-14)17-12-11-15(22)13-19(17)25-20(21)23/h2-13,22H,1H3
InChIKeyFLVNXGADSPXCGG-UHFFFAOYSA-N
XLogP3.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
5-(3,4-dihydroxy-2-methoxyphenyl)-2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione
CID 102301008
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
2,4,4-trimethylchromen-7-ol
CID 12760922
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
3',6'-dihydroxy-7-(phenylmethoxymethoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 66672757
3',6'-dihydroxy-7-(methoxymethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154937336

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one?
The IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one (CID 57414824) is 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one.
What is the SMILES notation for 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one?
The canonical SMILES for 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one is COc1ccccc1C1(c2ccccc2)C(=O)Oc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one?
The InChIKey is FLVNXGADSPXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-24-18-10-6-5-9-16(18)21(14-7-3-2-4-8-14)17-12-11-15(22)13-19(17)25-20(21)23/h2-13,22H,1H3.
What are the key properties of 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one?
6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-methoxyphenyl)-3-phenyl-1-benzofuran-2-one is sourced from PubChem (CID 57414824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).