2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol

C15H12O4 — CID 641806

IUPAC2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
SMILESCOc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1
InChIInChI=1S/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3
InChIKeyXDBDADAPEFSDHG-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.52
Rot. Bonds2

About 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol

2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol (PubChem CID 641806) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
PubChem CID641806
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
SMILESCOc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1
InChIInChI=1S/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3
InChIKeyXDBDADAPEFSDHG-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-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol?
The IUPAC name of 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol (CID 641806) is 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol.
What is the SMILES notation for 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol?
The canonical SMILES for 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol is COc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol?
The InChIKey is XDBDADAPEFSDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3.
What are the key properties of 2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol?
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-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-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol is sourced from PubChem (CID 641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).