2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol

C16H14O5 — CID 5319887

IUPAC2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol
SMILESCOc1cc(O)cc(-c2cc3cc(O)c(OC)cc3o2)c1
InChIInChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3
InChIKeyGOUSNRMGQRTROZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.53
Rot. Bonds3

About 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol

2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol (PubChem CID 5319887) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol
PubChem CID5319887
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol
SMILESCOc1cc(O)cc(-c2cc3cc(O)c(OC)cc3o2)c1
InChIInChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3
InChIKeyGOUSNRMGQRTROZ-UHFFFAOYSA-N
XLogP3.53
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol?
The IUPAC name of 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol (CID 5319887) is 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol.
What is the SMILES notation for 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol?
The canonical SMILES for 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol is COc1cc(O)cc(-c2cc3cc(O)c(OC)cc3o2)c1.
What is the InChIKey of 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol?
The InChIKey is GOUSNRMGQRTROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-12-4-9(3-11(17)7-12)14-6-10-5-13(18)16(20-2)8-15(10)21-14/h3-8,17-18H,1-2H3.
What are the key properties of 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol?
2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol has a molecular weight of 286.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol is sourced from PubChem (CID 5319887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).