2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol

C17H19NO3 — CID 135657498

IUPAC2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
SMILESCCOc1cccc(C/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C17H19NO3/c1-3-21-15-8-4-6-13(10-15)11-18-12-14-7-5-9-16(20-2)17(14)19/h4-10,12,19H,3,11H2,1-2H3/b18-12+
InChIKeyJBVWLVIMZUNLEY-LDADJPATSA-N
MW285.34 g/mol
LogP3.42
Rot. Bonds6

About 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol

2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol (PubChem CID 135657498) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
PubChem CID135657498
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
SMILESCCOc1cccc(C/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C17H19NO3/c1-3-21-15-8-4-6-13(10-15)11-18-12-14-7-5-9-16(20-2)17(14)19/h4-10,12,19H,3,11H2,1-2H3/b18-12+
InChIKeyJBVWLVIMZUNLEY-LDADJPATSA-N
XLogP3.42
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.42
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

2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
CID 135855331
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol (CID 135657498) is 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol is CCOc1cccc(C/N=C/c2cccc(OC)c2O)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The InChIKey is JBVWLVIMZUNLEY-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-15-8-4-6-13(10-15)11-18-12-14-7-5-9-16(20-2)17(14)19/h4-10,12,19H,3,11H2,1-2H3/b18-12+.
What are the key properties of 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135657498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).