3-(anthracen-9-ylmethylideneamino)phenol

C21H15NO — CID 5140429

IUPAC3-(anthracen-9-ylmethylideneamino)phenol
SMILESOc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H15NO/c23-18-9-5-8-17(13-18)22-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,23H/b22-14+
InChIKeySPMBOHYRYKWQEY-HYARGMPZSA-N
MW297.36 g/mol
LogP5.45
Rot. Bonds2

About 3-(anthracen-9-ylmethylideneamino)phenol

3-(anthracen-9-ylmethylideneamino)phenol (PubChem CID 5140429) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(anthracen-9-ylmethylideneamino)phenol.

Molecular Properties

Compound Name3-(anthracen-9-ylmethylideneamino)phenol
PubChem CID5140429
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name3-(anthracen-9-ylmethylideneamino)phenol
SMILESOc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H15NO/c23-18-9-5-8-17(13-18)22-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,23H/b22-14+
InChIKeySPMBOHYRYKWQEY-HYARGMPZSA-N
XLogP5.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(anthracen-9-ylmethylideneamino)phenol?
The IUPAC name of 3-(anthracen-9-ylmethylideneamino)phenol (CID 5140429) is 3-(anthracen-9-ylmethylideneamino)phenol.
What is the SMILES notation for 3-(anthracen-9-ylmethylideneamino)phenol?
The canonical SMILES for 3-(anthracen-9-ylmethylideneamino)phenol is Oc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 3-(anthracen-9-ylmethylideneamino)phenol?
The InChIKey is SPMBOHYRYKWQEY-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NO/c23-18-9-5-8-17(13-18)22-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,23H/b22-14+.
What are the key properties of 3-(anthracen-9-ylmethylideneamino)phenol?
3-(anthracen-9-ylmethylideneamino)phenol has a molecular weight of 297.36 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anthracen-9-ylmethylideneamino)phenol is sourced from PubChem (CID 5140429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).