4-(naphthalen-2-ylmethylideneamino)phenol

C17H13NO — CID 619026

IUPAC4-(naphthalen-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H13NO/c19-17-9-7-16(8-10-17)18-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,19H/b18-12+
InChIKeyYNUICXHDIPFGBR-LDADJPATSA-N
MW247.30 g/mol
LogP4.30
Rot. Bonds2

About 4-(naphthalen-2-ylmethylideneamino)phenol

4-(naphthalen-2-ylmethylideneamino)phenol (PubChem CID 619026) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethylideneamino)phenol
PubChem CID619026
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name4-(naphthalen-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H13NO/c19-17-9-7-16(8-10-17)18-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,19H/b18-12+
InChIKeyYNUICXHDIPFGBR-LDADJPATSA-N
XLogP4.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.30
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-(naphthalen-2-ylmethylideneamino)phenol?
The IUPAC name of 4-(naphthalen-2-ylmethylideneamino)phenol (CID 619026) is 4-(naphthalen-2-ylmethylideneamino)phenol.
What is the SMILES notation for 4-(naphthalen-2-ylmethylideneamino)phenol?
The canonical SMILES for 4-(naphthalen-2-ylmethylideneamino)phenol is Oc1ccc(/N=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethylideneamino)phenol?
The InChIKey is YNUICXHDIPFGBR-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-9-7-16(8-10-17)18-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,19H/b18-12+.
What are the key properties of 4-(naphthalen-2-ylmethylideneamino)phenol?
4-(naphthalen-2-ylmethylideneamino)phenol has a molecular weight of 247.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylideneamino)phenol is sourced from PubChem (CID 619026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).