5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one

C14H10O4 — CID 18957401

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(O)cc2C1c1ccc(O)cc1
InChIInChI=1S/C14H10O4/c15-9-3-1-8(2-4-9)13-11-7-10(16)5-6-12(11)18-14(13)17/h1-7,13,15-16H
InChIKeyXRGDSKKSZJUMOW-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.15
Rot. Bonds1

About 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one

5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one (PubChem CID 18957401) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
PubChem CID18957401
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(O)cc2C1c1ccc(O)cc1
InChIInChI=1S/C14H10O4/c15-9-3-1-8(2-4-9)13-11-7-10(16)5-6-12(11)18-14(13)17/h1-7,13,15-16H
InChIKeyXRGDSKKSZJUMOW-UHFFFAOYSA-N
XLogP2.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one (CID 18957401) is 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one is O=C1Oc2ccc(O)cc2C1c1ccc(O)cc1.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one?
The InChIKey is XRGDSKKSZJUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-3-1-8(2-4-9)13-11-7-10(16)5-6-12(11)18-14(13)17/h1-7,13,15-16H.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one?
5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one has a molecular weight of 242.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 18957401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).