1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol

C17H11Cl2NO — CID 690806

IUPAC1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2NO/c18-15-7-6-12(9-16(15)19)20-10-14-13-4-2-1-3-11(13)5-8-17(14)21/h1-10,21H/b20-10+
InChIKeyLTRXHTNIQLGEJM-KEBDBYFISA-N
MW316.19 g/mol
LogP5.60
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol

1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol (PubChem CID 690806) has the molecular formula C17H11Cl2NO and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol
PubChem CID690806
Molecular FormulaC17H11Cl2NO
Molecular Weight316.19 g/mol
Exact Mass315.02
IUPAC Name1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2NO/c18-15-7-6-12(9-16(15)19)20-10-14-13-4-2-1-3-11(13)5-8-17(14)21/h1-10,21H/b20-10+
InChIKeyLTRXHTNIQLGEJM-KEBDBYFISA-N
XLogP5.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.19
LogP ≤ 55.60
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 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol (CID 690806) is 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is LTRXHTNIQLGEJM-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11Cl2NO/c18-15-7-6-12(9-16(15)19)20-10-14-13-4-2-1-3-11(13)5-8-17(14)21/h1-10,21H/b20-10+.
What are the key properties of 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol?
1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 316.19 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 690806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).