1-(oxolan-2-yl)-3-phenylpropan-1-one

C13H16O2 — CID 20976605

IUPAC1-(oxolan-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyNOPQMMQHLNKYPL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds4

About 1-(oxolan-2-yl)-3-phenylpropan-1-one

1-(oxolan-2-yl)-3-phenylpropan-1-one (PubChem CID 20976605) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-phenylpropan-1-one
PubChem CID20976605
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(oxolan-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyNOPQMMQHLNKYPL-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(oxolan-2-yl)-3-phenylpropan-1-one (CID 20976605) is 1-(oxolan-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(oxolan-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(oxolan-2-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-phenylpropan-1-one?
The InChIKey is NOPQMMQHLNKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2.
What are the key properties of 1-(oxolan-2-yl)-3-phenylpropan-1-one?
1-(oxolan-2-yl)-3-phenylpropan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 20976605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).