(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

C15H10O5 — CID 687118

IUPAC(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1cc(O)ccc1O)c1coc2ccc(O)cc12
InChIInChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
InChIKeyUEKVXBPOFPTXNZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.78
Rot. Bonds2

About (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 687118) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID687118
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1cc(O)ccc1O)c1coc2ccc(O)cc12
InChIInChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
InChIKeyUEKVXBPOFPTXNZ-UHFFFAOYSA-N
XLogP2.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (CID 687118) is (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is O=C(c1cc(O)ccc1O)c1coc2ccc(O)cc12.
What is the InChIKey of (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is UEKVXBPOFPTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H.
What are the key properties of (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
(2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 270.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 687118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).