3-phenyl-3-phenylmethoxypropanal

C16H16O2 — CID 14951934

IUPAC3-phenyl-3-phenylmethoxypropanal
SMILESO=CCC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-12-11-16(15-9-5-2-6-10-15)18-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2
InChIKeyHVQDFKFQBHEBIM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.53
Rot. Bonds6

About 3-phenyl-3-phenylmethoxypropanal

3-phenyl-3-phenylmethoxypropanal (PubChem CID 14951934) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-phenyl-3-phenylmethoxypropanal.

Molecular Properties

Compound Name3-phenyl-3-phenylmethoxypropanal
PubChem CID14951934
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-phenyl-3-phenylmethoxypropanal
SMILESO=CCC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-12-11-16(15-9-5-2-6-10-15)18-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2
InChIKeyHVQDFKFQBHEBIM-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-3-phenylmethoxypropanal?
The IUPAC name of 3-phenyl-3-phenylmethoxypropanal (CID 14951934) is 3-phenyl-3-phenylmethoxypropanal.
What is the SMILES notation for 3-phenyl-3-phenylmethoxypropanal?
The canonical SMILES for 3-phenyl-3-phenylmethoxypropanal is O=CCC(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-phenylmethoxypropanal?
The InChIKey is HVQDFKFQBHEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-12-11-16(15-9-5-2-6-10-15)18-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2.
What are the key properties of 3-phenyl-3-phenylmethoxypropanal?
3-phenyl-3-phenylmethoxypropanal has a molecular weight of 240.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-phenylmethoxypropanal is sourced from PubChem (CID 14951934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).