1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol

C24H23NO — CID 134113710

IUPAC1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol
SMILESCCC(O)(c1ccccc1)c1ccccc1/N=C/C=C/c1ccccc1
InChIInChI=1S/C24H23NO/c1-2-24(26,21-15-7-4-8-16-21)22-17-9-10-18-23(22)25-19-11-14-20-12-5-3-6-13-20/h3-19,26H,2H2,1H3/b14-11+,25-19+
InChIKeyNQWQDCXOTRWGBI-OQCUBGFDSA-N
MW341.45 g/mol
LogP5.75
Rot. Bonds6

About 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol

1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol (PubChem CID 134113710) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol
PubChem CID134113710
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol
SMILESCCC(O)(c1ccccc1)c1ccccc1/N=C/C=C/c1ccccc1
InChIInChI=1S/C24H23NO/c1-2-24(26,21-15-7-4-8-16-21)22-17-9-10-18-23(22)25-19-11-14-20-12-5-3-6-13-20/h3-19,26H,2H2,1H3/b14-11+,25-19+
InChIKeyNQWQDCXOTRWGBI-OQCUBGFDSA-N
XLogP5.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol?
The IUPAC name of 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol (CID 134113710) is 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol?
The canonical SMILES for 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol is CCC(O)(c1ccccc1)c1ccccc1/N=C/C=C/c1ccccc1.
What is the InChIKey of 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol?
The InChIKey is NQWQDCXOTRWGBI-OQCUBGFDSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-24(26,21-15-7-4-8-16-21)22-17-9-10-18-23(22)25-19-11-14-20-12-5-3-6-13-20/h3-19,26H,2H2,1H3/b14-11+,25-19+.
What are the key properties of 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol?
1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol has a molecular weight of 341.45 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[2-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]propan-1-ol is sourced from PubChem (CID 134113710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).