1-(benzhydryliminomethyl)naphthalen-2-ol

C24H19NO — CID 135592591

IUPAC1-(benzhydryliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c26-23-16-15-18-9-7-8-14-21(18)22(23)17-25-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,26H/b25-17+
InChIKeyVLBNNLPUDREUMO-KOEQRZSOSA-N
MW337.42 g/mol
LogP5.75
Rot. Bonds4

About 1-(benzhydryliminomethyl)naphthalen-2-ol

1-(benzhydryliminomethyl)naphthalen-2-ol (PubChem CID 135592591) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(benzhydryliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(benzhydryliminomethyl)naphthalen-2-ol
PubChem CID135592591
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name1-(benzhydryliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c26-23-16-15-18-9-7-8-14-21(18)22(23)17-25-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,26H/b25-17+
InChIKeyVLBNNLPUDREUMO-KOEQRZSOSA-N
XLogP5.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135492595

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydryliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(benzhydryliminomethyl)naphthalen-2-ol (CID 135592591) is 1-(benzhydryliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(benzhydryliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(benzhydryliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzhydryliminomethyl)naphthalen-2-ol?
The InChIKey is VLBNNLPUDREUMO-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H19NO/c26-23-16-15-18-9-7-8-14-21(18)22(23)17-25-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,26H/b25-17+.
What are the key properties of 1-(benzhydryliminomethyl)naphthalen-2-ol?
1-(benzhydryliminomethyl)naphthalen-2-ol has a molecular weight of 337.42 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydryliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 135592591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).