2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol

C16H17NO2 — CID 693687

IUPAC2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cc(C)cc(C)c2)c1O
InChIInChI=1S/C16H17NO2/c1-11-7-12(2)9-14(8-11)17-10-13-5-4-6-15(19-3)16(13)18/h4-10,18H,1-3H3/b17-10+
InChIKeyLFJUAEXQVJSJGX-LICLKQGHSA-N
MW255.32 g/mol
LogP3.77
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol

2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 693687) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID693687
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cc(C)cc(C)c2)c1O
InChIInChI=1S/C16H17NO2/c1-11-7-12(2)9-14(8-11)17-10-13-5-4-6-15(19-3)16(13)18/h4-10,18H,1-3H3/b17-10+
InChIKeyLFJUAEXQVJSJGX-LICLKQGHSA-N
XLogP3.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Alpha-(4-methoxyphenylimino)-O-cresol
CID 221219
4-Bromo-2-methoxy-6-({[3-(trifluoromethyl)phenyl]imino}methyl)benzenol
CID 1377778
6-Methoxy-alpha-(4-methylphenylimino)-O-cresol
CID 428968
2-Methoxy-alpha-(4-methoxyphenylimino)-para-cresol
CID 681370
2-[(E)-(2,3-dihydro-1H-inden-5-ylimino)methyl]-6-methoxyphenol
CID 4849076
1,2-Benzenediol, 3-[(phenylimino)methyl]-
CID 693334
N-(3,4-Dimethoxybenzylidene)aniline
CID 238777
N-(3,4-Dimethoxybenzylidene)-P-toluidine
CID 964993
2-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylimino)methyl]-6-methoxyphenol
CID 3239596
2-methoxy-6-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]phenol
CID 785168
(6E)-2-hydroxy-6-[(2-methylanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 792150
2-[(2-Hydroxy-3-methoxybenzylidene)amino]benzonitrile
CID 619815

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol (CID 693687) is 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/c2cc(C)cc(C)c2)c1O.
What is the InChIKey of 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is LFJUAEXQVJSJGX-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-12(2)9-14(8-11)17-10-13-5-4-6-15(19-3)16(13)18/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol?
2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 255.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 693687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).