4-(4-hydroxyphenyl)iminonaphthalen-1-one

C16H11NO2 — CID 102089566

IUPAC4-(4-hydroxyphenyl)iminonaphthalen-1-one
SMILESO=C1C=C/C(=N\c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-12-7-5-11(6-8-12)17-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18H/b17-15+
InChIKeyATTFBHIQGAAUOJ-BMRADRMJSA-N
MW249.27 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-hydroxyphenyl)iminonaphthalen-1-one

4-(4-hydroxyphenyl)iminonaphthalen-1-one (PubChem CID 102089566) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)iminonaphthalen-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)iminonaphthalen-1-one
PubChem CID102089566
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name4-(4-hydroxyphenyl)iminonaphthalen-1-one
SMILESO=C1C=C/C(=N\c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-12-7-5-11(6-8-12)17-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18H/b17-15+
InChIKeyATTFBHIQGAAUOJ-BMRADRMJSA-N
XLogP3.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)iminonaphthalen-1-one?
The IUPAC name of 4-(4-hydroxyphenyl)iminonaphthalen-1-one (CID 102089566) is 4-(4-hydroxyphenyl)iminonaphthalen-1-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)iminonaphthalen-1-one?
The canonical SMILES for 4-(4-hydroxyphenyl)iminonaphthalen-1-one is O=C1C=C/C(=N\c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-(4-hydroxyphenyl)iminonaphthalen-1-one?
The InChIKey is ATTFBHIQGAAUOJ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H11NO2/c18-12-7-5-11(6-8-12)17-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18H/b17-15+.
What are the key properties of 4-(4-hydroxyphenyl)iminonaphthalen-1-one?
4-(4-hydroxyphenyl)iminonaphthalen-1-one has a molecular weight of 249.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)iminonaphthalen-1-one is sourced from PubChem (CID 102089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).