3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one

C14H10O4 — CID 71442115

IUPAC3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cc(O)ccc2O)c2ccccc21
InChIInChI=1S/C14H10O4/c15-8-5-6-12(16)11(7-8)13-9-3-1-2-4-10(9)14(17)18-13/h1-7,13,15-16H
InChIKeyYDTVJIQQGGMNNZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.36
Rot. Bonds1

About 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one

3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one (PubChem CID 71442115) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
PubChem CID71442115
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cc(O)ccc2O)c2ccccc21
InChIInChI=1S/C14H10O4/c15-8-5-6-12(16)11(7-8)13-9-3-1-2-4-10(9)14(17)18-13/h1-7,13,15-16H
InChIKeyYDTVJIQQGGMNNZ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one (CID 71442115) is 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one is O=C1OC(c2cc(O)ccc2O)c2ccccc21.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one?
The InChIKey is YDTVJIQQGGMNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-8-5-6-12(16)11(7-8)13-9-3-1-2-4-10(9)14(17)18-13/h1-7,13,15-16H.
What are the key properties of 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one?
3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one has a molecular weight of 242.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 71442115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).