3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid

C16H14O5 — CID 159563483

IUPAC3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1O.O=C1Cc2ccccc2O1
InChIInChI=1S/C8H8O3.C8H6O2/c9-7-4-2-1-3-6(7)5-8(10)11;9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11);1-4H,5H2
InChIKeyMGXLFNOMASFQLB-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.17
Rot. Bonds2

About 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid

3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid (PubChem CID 159563483) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid
PubChem CID159563483
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1O.O=C1Cc2ccccc2O1
InChIInChI=1S/C8H8O3.C8H6O2/c9-7-4-2-1-3-6(7)5-8(10)11;9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11);1-4H,5H2
InChIKeyMGXLFNOMASFQLB-UHFFFAOYSA-N
XLogP2.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.17
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 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid?
The IUPAC name of 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid (CID 159563483) is 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid?
The canonical SMILES for 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid is O=C(O)Cc1ccccc1O.O=C1Cc2ccccc2O1.
What is the InChIKey of 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid?
The InChIKey is MGXLFNOMASFQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C8H6O2/c9-7-4-2-1-3-6(7)5-8(10)11;9-8-5-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11);1-4H,5H2.
What are the key properties of 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid?
3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 159563483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).