3-(cinnamylideneamino)phenol

C15H13NO — CID 5006460

IUPAC3-(cinnamylideneamino)phenol
SMILESOc1cccc(/N=C/C=Cc2ccccc2)c1
InChIInChI=1S/C15H13NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-12,17H/b8-5?,16-11+
InChIKeyLAMWJTQGOKUQKO-WOHIRWRSSA-N
MW223.28 g/mol
LogP3.81
Rot. Bonds3

About 3-(cinnamylideneamino)phenol

3-(cinnamylideneamino)phenol (PubChem CID 5006460) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(cinnamylideneamino)phenol.

Molecular Properties

Compound Name3-(cinnamylideneamino)phenol
PubChem CID5006460
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-(cinnamylideneamino)phenol
SMILESOc1cccc(/N=C/C=Cc2ccccc2)c1
InChIInChI=1S/C15H13NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-12,17H/b8-5?,16-11+
InChIKeyLAMWJTQGOKUQKO-WOHIRWRSSA-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 3-(cinnamylideneamino)phenol?
The IUPAC name of 3-(cinnamylideneamino)phenol (CID 5006460) is 3-(cinnamylideneamino)phenol.
What is the SMILES notation for 3-(cinnamylideneamino)phenol?
The canonical SMILES for 3-(cinnamylideneamino)phenol is Oc1cccc(/N=C/C=Cc2ccccc2)c1.
What is the InChIKey of 3-(cinnamylideneamino)phenol?
The InChIKey is LAMWJTQGOKUQKO-WOHIRWRSSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-10-4-9-14(12-15)16-11-5-8-13-6-2-1-3-7-13/h1-12,17H/b8-5?,16-11+.
What are the key properties of 3-(cinnamylideneamino)phenol?
3-(cinnamylideneamino)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 3-(cinnamylideneamino)phenol is sourced from PubChem (CID 5006460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).