2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol

C15H12O3 — CID 11413769

IUPAC2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol
SMILESOCc1c(-c2ccccc2O)oc2ccccc12
InChIInChI=1S/C15H12O3/c16-9-12-10-5-2-4-8-14(10)18-15(12)11-6-1-3-7-13(11)17/h1-8,16-17H,9H2
InChIKeyFIOQJVLVTPYIFS-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.30
Rot. Bonds2

About 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol

2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol (PubChem CID 11413769) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol
PubChem CID11413769
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol
SMILESOCc1c(-c2ccccc2O)oc2ccccc12
InChIInChI=1S/C15H12O3/c16-9-12-10-5-2-4-8-14(10)18-15(12)11-6-1-3-7-13(11)17/h1-8,16-17H,9H2
InChIKeyFIOQJVLVTPYIFS-UHFFFAOYSA-N
XLogP3.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol?
The IUPAC name of 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol (CID 11413769) is 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol?
The canonical SMILES for 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol is OCc1c(-c2ccccc2O)oc2ccccc12.
What is the InChIKey of 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol?
The InChIKey is FIOQJVLVTPYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-9-12-10-5-2-4-8-14(10)18-15(12)11-6-1-3-7-13(11)17/h1-8,16-17H,9H2.
What are the key properties of 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol?
2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol has a molecular weight of 240.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 11413769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).