1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

C17H12BrNO2 — CID 794050

IUPAC1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc(Br)cc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12BrNO2/c18-12-6-8-17(21)15(9-12)19-10-14-13-4-2-1-3-11(13)5-7-16(14)20/h1-10,20-21H/b19-10+
InChIKeyYZENCXVFKUORRQ-VXLYETTFSA-N
MW342.19 g/mol
LogP4.76
Rot. Bonds2

About 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 794050) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
PubChem CID794050
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc(Br)cc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12BrNO2/c18-12-6-8-17(21)15(9-12)19-10-14-13-4-2-1-3-11(13)5-7-16(14)20/h1-10,20-21H/b19-10+
InChIKeyYZENCXVFKUORRQ-VXLYETTFSA-N
XLogP4.76
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (CID 794050) is 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is Oc1ccc(Br)cc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is YZENCXVFKUORRQ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-12-6-8-17(21)15(9-12)19-10-14-13-4-2-1-3-11(13)5-7-16(14)20/h1-10,20-21H/b19-10+.
What are the key properties of 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 342.19 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).