diphenylmethanone;propanal

C16H16O2 — CID 159329764

IUPACdiphenylmethanone;propanal
SMILESCCC=O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4/h1-10H;3H,2H2,1H3
InChIKeyLEVFDXTTZVJHPC-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.51
Rot. Bonds3

About diphenylmethanone;propanal

diphenylmethanone;propanal (PubChem CID 159329764) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is diphenylmethanone;propanal.

Molecular Properties

Compound Namediphenylmethanone;propanal
PubChem CID159329764
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namediphenylmethanone;propanal
SMILESCCC=O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4/h1-10H;3H,2H2,1H3
InChIKeyLEVFDXTTZVJHPC-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
diphenylmethanone;2-phenylcyclohexan-1-ol;propanal
CID 175312849
phthalic acid;propanal
CID 160555514
diphenylmethanone;propan-1-amine
CID 174497329
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;propanal?
The IUPAC name of diphenylmethanone;propanal (CID 159329764) is diphenylmethanone;propanal.
What is the SMILES notation for diphenylmethanone;propanal?
The canonical SMILES for diphenylmethanone;propanal is CCC=O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;propanal?
The InChIKey is LEVFDXTTZVJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3-4/h1-10H;3H,2H2,1H3.
What are the key properties of diphenylmethanone;propanal?
diphenylmethanone;propanal has a molecular weight of 240.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;propanal is sourced from PubChem (CID 159329764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).