5-benzhydrylidenefuran-2-one

C17H12O2 — CID 13417239

IUPAC5-benzhydrylidenefuran-2-one
SMILESO=C1C=CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H12O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyIEHHVHWZADMUNV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.56
Rot. Bonds2

About 5-benzhydrylidenefuran-2-one

5-benzhydrylidenefuran-2-one (PubChem CID 13417239) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-benzhydrylidenefuran-2-one.

Molecular Properties

Compound Name5-benzhydrylidenefuran-2-one
PubChem CID13417239
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name5-benzhydrylidenefuran-2-one
SMILESO=C1C=CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H12O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyIEHHVHWZADMUNV-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidenefuran-2-one?
The IUPAC name of 5-benzhydrylidenefuran-2-one (CID 13417239) is 5-benzhydrylidenefuran-2-one.
What is the SMILES notation for 5-benzhydrylidenefuran-2-one?
The canonical SMILES for 5-benzhydrylidenefuran-2-one is O=C1C=CC(=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-benzhydrylidenefuran-2-one?
The InChIKey is IEHHVHWZADMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 5-benzhydrylidenefuran-2-one?
5-benzhydrylidenefuran-2-one has a molecular weight of 248.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidenefuran-2-one is sourced from PubChem (CID 13417239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).