6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

C16H12O6 — CID 122392454

IUPAC6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3cc(O)ccc3c2C(=O)O)cc1O
InChIInChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)15-14(16(19)20)10-4-3-9(17)7-13(10)22-15/h2-7,17-18H,1H3,(H,19,20)
InChIKeyOUNDSWZEUDCCEJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.22
Rot. Bonds3

About 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 122392454) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
PubChem CID122392454
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3cc(O)ccc3c2C(=O)O)cc1O
InChIInChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)15-14(16(19)20)10-4-3-9(17)7-13(10)22-15/h2-7,17-18H,1H3,(H,19,20)
InChIKeyOUNDSWZEUDCCEJ-UHFFFAOYSA-N
XLogP3.22
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (CID 122392454) is 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is COc1ccc(-c2oc3cc(O)ccc3c2C(=O)O)cc1O.
What is the InChIKey of 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is OUNDSWZEUDCCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)15-14(16(19)20)10-4-3-9(17)7-13(10)22-15/h2-7,17-18H,1H3,(H,19,20).
What are the key properties of 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 122392454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).