1,3-diphenylpropan-2-one

C15H14O — CID 7593

IUPAC1,3-diphenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYFKBXYGUSOXJGS-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.04
Rot. Bonds4

About 1,3-diphenylpropan-2-one

1,3-diphenylpropan-2-one (PubChem CID 7593) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-one.

Molecular Properties

Compound Name1,3-diphenylpropan-2-one
PubChem CID7593
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1,3-diphenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYFKBXYGUSOXJGS-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-one?
The IUPAC name of 1,3-diphenylpropan-2-one (CID 7593) is 1,3-diphenylpropan-2-one.
What is the SMILES notation for 1,3-diphenylpropan-2-one?
The canonical SMILES for 1,3-diphenylpropan-2-one is O=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-one?
The InChIKey is YFKBXYGUSOXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 1,3-diphenylpropan-2-one?
1,3-diphenylpropan-2-one has a molecular weight of 210.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-one is sourced from PubChem (CID 7593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).