4-[[(E)-3-phenylprop-2-enylidene]amino]phenol

C15H13NO — CID 5355459

IUPAC4-[[(E)-3-phenylprop-2-enylidene]amino]phenol
SMILESOc1ccc(/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12,17H/b7-4+,16-12+
InChIKeyVGRRMDJXZDBXNE-JAFAMXRVSA-N
MW223.28 g/mol
LogP3.81
Rot. Bonds3

About 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol

4-[[(E)-3-phenylprop-2-enylidene]amino]phenol (PubChem CID 5355459) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol.

Molecular Properties

Compound Name4-[[(E)-3-phenylprop-2-enylidene]amino]phenol
PubChem CID5355459
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-[[(E)-3-phenylprop-2-enylidene]amino]phenol
SMILESOc1ccc(/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12,17H/b7-4+,16-12+
InChIKeyVGRRMDJXZDBXNE-JAFAMXRVSA-N
XLogP3.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.81
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 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol?
The IUPAC name of 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol (CID 5355459) is 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol.
What is the SMILES notation for 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol?
The canonical SMILES for 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol is Oc1ccc(/N=C/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol?
The InChIKey is VGRRMDJXZDBXNE-JAFAMXRVSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12,17H/b7-4+,16-12+.
What are the key properties of 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol?
4-[[(E)-3-phenylprop-2-enylidene]amino]phenol has a molecular weight of 223.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-phenylprop-2-enylidene]amino]phenol is sourced from PubChem (CID 5355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).