diphenylmethanone;1-pyridin-4-ylpropan-2-one

C21H19NO2 — CID 174822420

IUPACdiphenylmethanone;1-pyridin-4-ylpropan-2-one
SMILESCC(=O)Cc1ccncc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C8H9NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(10)6-8-2-4-9-5-3-8/h1-10H;2-5H,6H2,1H3
InChIKeyZFXYATMMCPEXMI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.13
Rot. Bonds4

About diphenylmethanone;1-pyridin-4-ylpropan-2-one

diphenylmethanone;1-pyridin-4-ylpropan-2-one (PubChem CID 174822420) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is diphenylmethanone;1-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Namediphenylmethanone;1-pyridin-4-ylpropan-2-one
PubChem CID174822420
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Namediphenylmethanone;1-pyridin-4-ylpropan-2-one
SMILESCC(=O)Cc1ccncc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C8H9NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(10)6-8-2-4-9-5-3-8/h1-10H;2-5H,6H2,1H3
InChIKeyZFXYATMMCPEXMI-UHFFFAOYSA-N
XLogP4.13
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;1-pyridin-4-ylpropan-2-one?
The IUPAC name of diphenylmethanone;1-pyridin-4-ylpropan-2-one (CID 174822420) is diphenylmethanone;1-pyridin-4-ylpropan-2-one.
What is the SMILES notation for diphenylmethanone;1-pyridin-4-ylpropan-2-one?
The canonical SMILES for diphenylmethanone;1-pyridin-4-ylpropan-2-one is CC(=O)Cc1ccncc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;1-pyridin-4-ylpropan-2-one?
The InChIKey is ZFXYATMMCPEXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C8H9NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(10)6-8-2-4-9-5-3-8/h1-10H;2-5H,6H2,1H3.
What are the key properties of diphenylmethanone;1-pyridin-4-ylpropan-2-one?
diphenylmethanone;1-pyridin-4-ylpropan-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;1-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 174822420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).