2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol

C15H12O4 — CID 641364

IUPAC2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
SMILESCOc1cc(O)cc(-c2cc3c(O)cccc3o2)c1
InChIInChI=1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3
InChIKeyLNYJPSJEXBTRPO-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.52
Rot. Bonds2

About 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol

2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol (PubChem CID 641364) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
PubChem CID641364
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
SMILESCOc1cc(O)cc(-c2cc3c(O)cccc3o2)c1
InChIInChI=1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3
InChIKeyLNYJPSJEXBTRPO-UHFFFAOYSA-N
XLogP3.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol?
The IUPAC name of 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol (CID 641364) is 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol.
What is the SMILES notation for 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol?
The canonical SMILES for 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol is COc1cc(O)cc(-c2cc3c(O)cccc3o2)c1.
What is the InChIKey of 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol?
The InChIKey is LNYJPSJEXBTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3.
What are the key properties of 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol?
2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol has a molecular weight of 256.26 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol is sourced from PubChem (CID 641364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).