3-benzylidene-1-benzofuran-2-ol

C15H12O2 — CID 67805873

IUPAC3-benzylidene-1-benzofuran-2-ol
SMILESOC1Oc2ccccc2C1=Cc1ccccc1
InChIInChI=1S/C15H12O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10,15-16H
InChIKeyKAAOPWNGBFWCOV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.94
Rot. Bonds1

About 3-benzylidene-1-benzofuran-2-ol

3-benzylidene-1-benzofuran-2-ol (PubChem CID 67805873) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-benzylidene-1-benzofuran-2-ol.

Molecular Properties

Compound Name3-benzylidene-1-benzofuran-2-ol
PubChem CID67805873
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-benzylidene-1-benzofuran-2-ol
SMILESOC1Oc2ccccc2C1=Cc1ccccc1
InChIInChI=1S/C15H12O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10,15-16H
InChIKeyKAAOPWNGBFWCOV-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-1-benzofuran-2-ol?
The IUPAC name of 3-benzylidene-1-benzofuran-2-ol (CID 67805873) is 3-benzylidene-1-benzofuran-2-ol.
What is the SMILES notation for 3-benzylidene-1-benzofuran-2-ol?
The canonical SMILES for 3-benzylidene-1-benzofuran-2-ol is OC1Oc2ccccc2C1=Cc1ccccc1.
What is the InChIKey of 3-benzylidene-1-benzofuran-2-ol?
The InChIKey is KAAOPWNGBFWCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10,15-16H.
What are the key properties of 3-benzylidene-1-benzofuran-2-ol?
3-benzylidene-1-benzofuran-2-ol has a molecular weight of 224.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-benzofuran-2-ol is sourced from PubChem (CID 67805873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).