2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol

C17H19NO3 — CID 2245956

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol
SMILESCOc1ccc(CC/N=C/c2ccccc2O)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-16-8-7-13(11-17(16)21-2)9-10-18-12-14-5-3-4-6-15(14)19/h3-8,11-12,19H,9-10H2,1-2H3/b18-12+
InChIKeyASARVGFHKPGWSZ-LDADJPATSA-N
MW285.34 g/mol
LogP3.07
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol

2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol (PubChem CID 2245956) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol
PubChem CID2245956
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol
SMILESCOc1ccc(CC/N=C/c2ccccc2O)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-16-8-7-13(11-17(16)21-2)9-10-18-12-14-5-3-4-6-15(14)19/h3-8,11-12,19H,9-10H2,1-2H3/b18-12+
InChIKeyASARVGFHKPGWSZ-LDADJPATSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol (CID 2245956) is 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol is COc1ccc(CC/N=C/c2ccccc2O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol?
The InChIKey is ASARVGFHKPGWSZ-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-8-7-13(11-17(16)21-2)9-10-18-12-14-5-3-4-6-15(14)19/h3-8,11-12,19H,9-10H2,1-2H3/b18-12+.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol?
2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol has a molecular weight of 285.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 2245956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).