3,4-diphenylpentanal

C17H18O — CID 102432987

IUPAC3,4-diphenylpentanal
SMILESCC(c1ccccc1)C(CC=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-14(15-8-4-2-5-9-15)17(12-13-18)16-10-6-3-7-11-16/h2-11,13-14,17H,12H2,1H3
InChIKeyQPLGYULHUDZUIV-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.16
Rot. Bonds5

About 3,4-diphenylpentanal

3,4-diphenylpentanal (PubChem CID 102432987) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-diphenylpentanal.

Molecular Properties

Compound Name3,4-diphenylpentanal
PubChem CID102432987
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3,4-diphenylpentanal
SMILESCC(c1ccccc1)C(CC=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-14(15-8-4-2-5-9-15)17(12-13-18)16-10-6-3-7-11-16/h2-11,13-14,17H,12H2,1H3
InChIKeyQPLGYULHUDZUIV-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-diphenylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
(3S,4S)-4-nitro-3-phenylpentanal
CID 102374569
(3R)-3-phenylbutanal
CID 10877278
(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
CID 162406136
2-methyl-3-phenylbutanal
CID 3024886
(3R)-3-phenylpentanal
CID 12598589
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015
(2R,3R)-2-fluoro-3-phenylbutanal
CID 134987463
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(3R)-3-amino-3-phenylpropanal
CID 142843115
aniline;ethane;3-phenylbutanal
CID 172564179

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylpentanal?
The IUPAC name of 3,4-diphenylpentanal (CID 102432987) is 3,4-diphenylpentanal.
What is the SMILES notation for 3,4-diphenylpentanal?
The canonical SMILES for 3,4-diphenylpentanal is CC(c1ccccc1)C(CC=O)c1ccccc1.
What is the InChIKey of 3,4-diphenylpentanal?
The InChIKey is QPLGYULHUDZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-14(15-8-4-2-5-9-15)17(12-13-18)16-10-6-3-7-11-16/h2-11,13-14,17H,12H2,1H3.
What are the key properties of 3,4-diphenylpentanal?
3,4-diphenylpentanal has a molecular weight of 238.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylpentanal is sourced from PubChem (CID 102432987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).