1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol

C17H11Cl2NO2 — CID 630306

IUPAC1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C17H11Cl2NO2/c18-14-7-11(8-15(19)17(14)22)20-9-13-12-4-2-1-3-10(12)5-6-16(13)21/h1-9,21-22H/b20-9+
InChIKeyRZAKRQVLHRBGJV-AWQFTUOYSA-N
MW332.19 g/mol
LogP5.31
Rot. Bonds2

About 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol

1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 630306) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
PubChem CID630306
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C17H11Cl2NO2/c18-14-7-11(8-15(19)17(14)22)20-9-13-12-4-2-1-3-10(12)5-6-16(13)21/h1-9,21-22H/b20-9+
InChIKeyRZAKRQVLHRBGJV-AWQFTUOYSA-N
XLogP5.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314
1-[(3,5-diamino-4-methylphenyl)iminomethyl]naphthalen-2-ol;2-hydroxynaphthalene-1-carbaldehyde;2-methylbenzene-1,3,5-triamine
CID 159705468
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol (CID 630306) is 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is RZAKRQVLHRBGJV-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-14-7-11(8-15(19)17(14)22)20-9-13-12-4-2-1-3-10(12)5-6-16(13)21/h1-9,21-22H/b20-9+.
What are the key properties of 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 332.19 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 630306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).