1-(5-phenylfuran-2-yl)propan-1-one

C13H12O2 — CID 62631331

IUPAC1-(5-phenylfuran-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-2-11(14)13-9-8-12(15-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyDYDUUIXGYUCBFG-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.54
Rot. Bonds3

About 1-(5-phenylfuran-2-yl)propan-1-one

1-(5-phenylfuran-2-yl)propan-1-one (PubChem CID 62631331) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(5-phenylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-phenylfuran-2-yl)propan-1-one
PubChem CID62631331
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-(5-phenylfuran-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-2-11(14)13-9-8-12(15-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyDYDUUIXGYUCBFG-UHFFFAOYSA-N
XLogP3.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylfuran-2-yl)propan-1-one?
The IUPAC name of 1-(5-phenylfuran-2-yl)propan-1-one (CID 62631331) is 1-(5-phenylfuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-phenylfuran-2-yl)propan-1-one?
The canonical SMILES for 1-(5-phenylfuran-2-yl)propan-1-one is CCC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenylfuran-2-yl)propan-1-one?
The InChIKey is DYDUUIXGYUCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-11(14)13-9-8-12(15-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 1-(5-phenylfuran-2-yl)propan-1-one?
1-(5-phenylfuran-2-yl)propan-1-one has a molecular weight of 200.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylfuran-2-yl)propan-1-one is sourced from PubChem (CID 62631331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).