1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol

C20H19NO3 — CID 135595898

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
SMILESCOc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO3/c1-13-10-19(23-2)20(24-3)11-17(13)21-12-16-15-7-5-4-6-14(15)8-9-18(16)22/h4-12,22H,1-3H3/b21-12+
InChIKeyJAUYRRYPYUVYHE-CIAFOILYSA-N
MW321.38 g/mol
LogP4.62
Rot. Bonds4

About 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol

1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 135595898) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID135595898
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
SMILESCOc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO3/c1-13-10-19(23-2)20(24-3)11-17(13)21-12-16-15-7-5-4-6-14(15)8-9-18(16)22/h4-12,22H,1-3H3/b21-12+
InChIKeyJAUYRRYPYUVYHE-CIAFOILYSA-N
XLogP4.62
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 1272184
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
N-(2,3-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 126214700
1-[(2-methoxyphenyl)methyliminomethyl]naphthalen-2-ol
CID 135595588
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
CID 163678536
1-[2-(2-methoxyphenoxy)ethyliminomethyl]naphthalen-2-ol
CID 135596070
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 135829101
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol (CID 135595898) is 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol is COc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is JAUYRRYPYUVYHE-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-10-19(23-2)20(24-3)11-17(13)21-12-16-15-7-5-4-6-14(15)8-9-18(16)22/h4-12,22H,1-3H3/b21-12+.
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol?
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 321.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135595898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).