5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol

C15H12O3 — CID 641365

IUPAC5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C15H12O3/c1-9-12(16)6-11(7-13(9)17)15-8-10-4-2-3-5-14(10)18-15/h2-8,16-17H,1H3
InChIKeyUJNBNDIUQWFUNM-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.82
Rot. Bonds1

About 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol

5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol (PubChem CID 641365) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol
PubChem CID641365
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)cc(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C15H12O3/c1-9-12(16)6-11(7-13(9)17)15-8-10-4-2-3-5-14(10)18-15/h2-8,16-17H,1H3
InChIKeyUJNBNDIUQWFUNM-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol (CID 641365) is 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol is Cc1c(O)cc(-c2cc3ccccc3o2)cc1O.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol?
The InChIKey is UJNBNDIUQWFUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-9-12(16)6-11(7-13(9)17)15-8-10-4-2-3-5-14(10)18-15/h2-8,16-17H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol?
5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol has a molecular weight of 240.26 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 641365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).