1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol

C20H19NO2 — CID 137225852

IUPAC1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
SMILESOC[C@H](Cc1ccccc1)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19NO2/c22-14-17(12-15-6-2-1-3-7-15)21-13-19-18-9-5-4-8-16(18)10-11-20(19)23/h1-11,13,17,22-23H,12,14H2/b21-13+/t17-/m0/s1
InChIKeyUQEOWLVGVJEKDP-RSZPVBOMSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds5

About 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol

1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol (PubChem CID 137225852) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
PubChem CID137225852
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
SMILESOC[C@H](Cc1ccccc1)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19NO2/c22-14-17(12-15-6-2-1-3-7-15)21-13-19-18-9-5-4-8-16(18)10-11-20(19)23/h1-11,13,17,22-23H,12,14H2/b21-13+/t17-/m0/s1
InChIKeyUQEOWLVGVJEKDP-RSZPVBOMSA-N
XLogP3.57
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol (CID 137225852) is 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol is OC[C@H](Cc1ccccc1)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol?
The InChIKey is UQEOWLVGVJEKDP-RSZPVBOMSA-N. The full InChI is InChI=1S/C20H19NO2/c22-14-17(12-15-6-2-1-3-7-15)21-13-19-18-9-5-4-8-16(18)10-11-20(19)23/h1-11,13,17,22-23H,12,14H2/b21-13+/t17-/m0/s1.
What are the key properties of 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol?
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol has a molecular weight of 305.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 137225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).