2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol

C17H19NO2 — CID 135657453

IUPAC2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(C)cc2C)c1O
InChIInChI=1S/C17H19NO2/c1-4-20-16-7-5-6-14(17(16)19)11-18-15-9-8-12(2)10-13(15)3/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyIKBFMRBTFQAROW-WOJGMQOQSA-N
MW269.34 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol

2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 135657453) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
PubChem CID135657453
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(C)cc2C)c1O
InChIInChI=1S/C17H19NO2/c1-4-20-16-7-5-6-14(17(16)19)11-18-15-9-8-12(2)10-13(15)3/h5-11,19H,4H2,1-3H3/b18-11+
InChIKeyIKBFMRBTFQAROW-WOJGMQOQSA-N
XLogP4.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.16
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

2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
1-(2,4-dimethylphenyl)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 135715701
2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1206273
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol (CID 135657453) is 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/c2ccc(C)cc2C)c1O.
What is the InChIKey of 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is IKBFMRBTFQAROW-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-20-16-7-5-6-14(17(16)19)11-18-15-9-8-12(2)10-13(15)3/h5-11,19H,4H2,1-3H3/b18-11+.
What are the key properties of 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol?
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135657453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).