3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one

C15H12O5 — CID 169219462

IUPAC3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one
SMILESCOc1c(Oc2ccccc2)ccc2c1C(O)OC2=O
InChIInChI=1S/C15H12O5/c1-18-13-11(19-9-5-3-2-4-6-9)8-7-10-12(13)15(17)20-14(10)16/h2-8,15,17H,1H3
InChIKeyLGPLKZQQKRSUHH-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.65
Rot. Bonds3

About 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one

3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one (PubChem CID 169219462) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one
PubChem CID169219462
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one
SMILESCOc1c(Oc2ccccc2)ccc2c1C(O)OC2=O
InChIInChI=1S/C15H12O5/c1-18-13-11(19-9-5-3-2-4-6-9)8-7-10-12(13)15(17)20-14(10)16/h2-8,15,17H,1H3
InChIKeyLGPLKZQQKRSUHH-UHFFFAOYSA-N
XLogP2.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one (CID 169219462) is 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one is COc1c(Oc2ccccc2)ccc2c1C(O)OC2=O.
What is the InChIKey of 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one?
The InChIKey is LGPLKZQQKRSUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-18-13-11(19-9-5-3-2-4-6-9)8-7-10-12(13)15(17)20-14(10)16/h2-8,15,17H,1H3.
What are the key properties of 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one?
3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one has a molecular weight of 272.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-5-phenoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 169219462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).