3-(1-benzofuran-5-yl)-1-phenylpropan-1-one

C17H14O2 — CID 140968669

IUPAC3-(1-benzofuran-5-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccc2occc2c1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-16(14-4-2-1-3-5-14)8-6-13-7-9-17-15(12-13)10-11-19-17/h1-5,7,9-12H,6,8H2
InChIKeyPBNFVVXUDOCICS-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.25
Rot. Bonds4

About 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one

3-(1-benzofuran-5-yl)-1-phenylpropan-1-one (PubChem CID 140968669) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-1-phenylpropan-1-one
PubChem CID140968669
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name3-(1-benzofuran-5-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccc2occc2c1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-16(14-4-2-1-3-5-14)8-6-13-7-9-17-15(12-13)10-11-19-17/h1-5,7,9-12H,6,8H2
InChIKeyPBNFVVXUDOCICS-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one (CID 140968669) is 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one is O=C(CCc1ccc2occc2c1)c1ccccc1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one?
The InChIKey is PBNFVVXUDOCICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-16(14-4-2-1-3-5-14)8-6-13-7-9-17-15(12-13)10-11-19-17/h1-5,7,9-12H,6,8H2.
What are the key properties of 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one?
3-(1-benzofuran-5-yl)-1-phenylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 140968669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).