3-(oxolan-2-yl)-1,3-diphenylpropan-1-one

C19H20O2 — CID 154715080

IUPAC3-(oxolan-2-yl)-1,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)C1CCCO1)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(16-10-5-2-6-11-16)14-17(19-12-7-13-21-19)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2
InChIKeyZWGMKDHHCPSHLH-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds5

About 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one

3-(oxolan-2-yl)-1,3-diphenylpropan-1-one (PubChem CID 154715080) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1,3-diphenylpropan-1-one
PubChem CID154715080
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-(oxolan-2-yl)-1,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)C1CCCO1)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(16-10-5-2-6-11-16)14-17(19-12-7-13-21-19)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2
InChIKeyZWGMKDHHCPSHLH-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one (CID 154715080) is 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)C1CCCO1)c1ccccc1.
What is the InChIKey of 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one?
The InChIKey is ZWGMKDHHCPSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(16-10-5-2-6-11-16)14-17(19-12-7-13-21-19)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2.
What are the key properties of 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one?
3-(oxolan-2-yl)-1,3-diphenylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 154715080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).