2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol

C17H16O4 — CID 641367

IUPAC2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
SMILESCOc1cc(-c2cc3c(O)cccc3o2)c(C)c(O)c1C
InChIInChI=1S/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H3
InChIKeyLWQZXNMQJHPTQF-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.14
Rot. Bonds2

About 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol

2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol (PubChem CID 641367) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
PubChem CID641367
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
SMILESCOc1cc(-c2cc3c(O)cccc3o2)c(C)c(O)c1C
InChIInChI=1S/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H3
InChIKeyLWQZXNMQJHPTQF-UHFFFAOYSA-N
XLogP4.14
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.14
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-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol?
The IUPAC name of 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol (CID 641367) is 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol.
What is the SMILES notation for 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol?
The canonical SMILES for 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol is COc1cc(-c2cc3c(O)cccc3o2)c(C)c(O)c1C.
What is the InChIKey of 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol?
The InChIKey is LWQZXNMQJHPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H3.
What are the key properties of 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol?
2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol has a molecular weight of 284.31 g/mol, XLogP of 4.14, 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-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol is sourced from PubChem (CID 641367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).