3-(3-benzylphenyl)propanal

C16H16O — CID 10466202

IUPAC3-(3-benzylphenyl)propanal
SMILESO=CCCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c17-11-5-10-15-8-4-9-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-9,11,13H,5,10,12H2
InChIKeyCWDNGVKPIVJBNU-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.41
Rot. Bonds5

About 3-(3-benzylphenyl)propanal

3-(3-benzylphenyl)propanal (PubChem CID 10466202) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(3-benzylphenyl)propanal.

Molecular Properties

Compound Name3-(3-benzylphenyl)propanal
PubChem CID10466202
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-(3-benzylphenyl)propanal
SMILESO=CCCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c17-11-5-10-15-8-4-9-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-9,11,13H,5,10,12H2
InChIKeyCWDNGVKPIVJBNU-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylphenyl)propanal?
The IUPAC name of 3-(3-benzylphenyl)propanal (CID 10466202) is 3-(3-benzylphenyl)propanal.
What is the SMILES notation for 3-(3-benzylphenyl)propanal?
The canonical SMILES for 3-(3-benzylphenyl)propanal is O=CCCc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-(3-benzylphenyl)propanal?
The InChIKey is CWDNGVKPIVJBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-11-5-10-15-8-4-9-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-9,11,13H,5,10,12H2.
What are the key properties of 3-(3-benzylphenyl)propanal?
3-(3-benzylphenyl)propanal has a molecular weight of 224.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylphenyl)propanal is sourced from PubChem (CID 10466202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).