butanal;1,3-diphenylpropan-2-one

C19H22O2 — CID 21492177

IUPACbutanal;1,3-diphenylpropan-2-one
SMILESCCCC=O.O=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O.C4H8O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10H,11-12H2;4H,2-3H2,1H3
InChIKeyAVIPJFQPVVGIOK-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.03
Rot. Bonds6

About butanal;1,3-diphenylpropan-2-one

butanal;1,3-diphenylpropan-2-one (PubChem CID 21492177) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is butanal;1,3-diphenylpropan-2-one.

Molecular Properties

Compound Namebutanal;1,3-diphenylpropan-2-one
PubChem CID21492177
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Namebutanal;1,3-diphenylpropan-2-one
SMILESCCCC=O.O=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O.C4H8O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10H,11-12H2;4H,2-3H2,1H3
InChIKeyAVIPJFQPVVGIOK-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.03
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

butanal;2-phenylacetaldehyde
CID 161135702
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-aminoacetic acid;butanal;methoxymethylbenzene
CID 155690078
butanal;terephthalic acid
CID 174990552
1-phenylheptadecan-2-one
CID 12920609
butanal;2-carbamoylbenzoic acid
CID 174303013
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
1-ethylsulfonyl-3-phenylpropan-2-one
CID 64642935
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321

Frequently Asked Questions

What is the IUPAC name of butanal;1,3-diphenylpropan-2-one?
The IUPAC name of butanal;1,3-diphenylpropan-2-one (CID 21492177) is butanal;1,3-diphenylpropan-2-one.
What is the SMILES notation for butanal;1,3-diphenylpropan-2-one?
The canonical SMILES for butanal;1,3-diphenylpropan-2-one is CCCC=O.O=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of butanal;1,3-diphenylpropan-2-one?
The InChIKey is AVIPJFQPVVGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C4H8O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10H,11-12H2;4H,2-3H2,1H3.
What are the key properties of butanal;1,3-diphenylpropan-2-one?
butanal;1,3-diphenylpropan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;1,3-diphenylpropan-2-one is sourced from PubChem (CID 21492177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).