1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol

C19H17NO2 — CID 136843980

IUPAC1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
SMILESOCC(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NO2/c21-13-18(15-7-2-1-3-8-15)20-12-17-16-9-5-4-6-14(16)10-11-19(17)22/h1-12,18,21-22H,13H2/b20-12+
InChIKeyBPSOZAPSFOIJMN-UDWIEESQSA-N
MW291.35 g/mol
LogP3.70
Rot. Bonds4

About 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol

1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol (PubChem CID 136843980) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
PubChem CID136843980
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
SMILESOCC(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NO2/c21-13-18(15-7-2-1-3-8-15)20-12-17-16-9-5-4-6-14(16)10-11-19(17)22/h1-12,18,21-22H,13H2/b20-12+
InChIKeyBPSOZAPSFOIJMN-UDWIEESQSA-N
XLogP3.70
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.70
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-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
(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
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol (CID 136843980) is 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol is OCC(/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol?
The InChIKey is BPSOZAPSFOIJMN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO2/c21-13-18(15-7-2-1-3-8-15)20-12-17-16-9-5-4-6-14(16)10-11-19(17)22/h1-12,18,21-22H,13H2/b20-12+.
What are the key properties of 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol?
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol has a molecular weight of 291.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136843980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).