2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol

C21H17NO — CID 3812353

IUPAC2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21-9-5-4-8-19(21)16-22-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16,23H/b11-10?,22-16+
InChIKeyAZEISWUTDOSHAT-AFRMTVGMSA-N
MW299.37 g/mol
LogP5.31
Rot. Bonds4

About 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol

2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol (PubChem CID 3812353) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
PubChem CID3812353
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21-9-5-4-8-19(21)16-22-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16,23H/b11-10?,22-16+
InChIKeyAZEISWUTDOSHAT-AFRMTVGMSA-N
XLogP5.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol (CID 3812353) is 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol?
The InChIKey is AZEISWUTDOSHAT-AFRMTVGMSA-N. The full InChI is InChI=1S/C21H17NO/c23-21-9-5-4-8-19(21)16-22-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16,23H/b11-10?,22-16+.
What are the key properties of 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol?
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3812353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).