3-(3-chlorophenyl)-3-phenylpropanal

C15H13ClO — CID 19076021

IUPAC3-(3-chlorophenyl)-3-phenylpropanal
SMILESO=CCC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2
InChIKeyYMWSHIRGLXZNKY-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.06
Rot. Bonds4

About 3-(3-chlorophenyl)-3-phenylpropanal

3-(3-chlorophenyl)-3-phenylpropanal (PubChem CID 19076021) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-phenylpropanal.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-phenylpropanal
PubChem CID19076021
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name3-(3-chlorophenyl)-3-phenylpropanal
SMILESO=CCC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2
InChIKeyYMWSHIRGLXZNKY-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
(3R,4S)-3-(3-chlorophenyl)-4-(ethylamino)pentanal
CID 89080830
3-(1,3-benzodioxol-5-yl)-3-phenylpropanal
CID 86590650
2-(3-chlorophenyl)-2-sulfanylacetaldehyde
CID 173459675
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal
CID 174459795
(3R)-3-phenylbutanal
CID 10877278
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(3R)-3-amino-3-phenylpropanal
CID 142843115
3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxypropan-2-yl)phenyl]propanal
CID 87246458

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-phenylpropanal?
The IUPAC name of 3-(3-chlorophenyl)-3-phenylpropanal (CID 19076021) is 3-(3-chlorophenyl)-3-phenylpropanal.
What is the SMILES notation for 3-(3-chlorophenyl)-3-phenylpropanal?
The canonical SMILES for 3-(3-chlorophenyl)-3-phenylpropanal is O=CCC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-phenylpropanal?
The InChIKey is YMWSHIRGLXZNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2.
What are the key properties of 3-(3-chlorophenyl)-3-phenylpropanal?
3-(3-chlorophenyl)-3-phenylpropanal has a molecular weight of 244.72 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-phenylpropanal is sourced from PubChem (CID 19076021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).