2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol

C18H21NO3 — CID 135829051

IUPAC2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
SMILESCOc1ccc(C)cc1CC/N=C/c1cccc(OC)c1O
InChIInChI=1S/C18H21NO3/c1-13-7-8-16(21-2)14(11-13)9-10-19-12-15-5-4-6-17(22-3)18(15)20/h4-8,11-12,20H,9-10H2,1-3H3/b19-12+
InChIKeyNQZIDPLUDASSBP-XDHOZWIPSA-N
MW299.37 g/mol
LogP3.38
Rot. Bonds6

About 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol

2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol (PubChem CID 135829051) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
PubChem CID135829051
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
SMILESCOc1ccc(C)cc1CC/N=C/c1cccc(OC)c1O
InChIInChI=1S/C18H21NO3/c1-13-7-8-16(21-2)14(11-13)9-10-19-12-15-5-4-6-17(22-3)18(15)20/h4-8,11-12,20H,9-10H2,1-3H3/b19-12+
InChIKeyNQZIDPLUDASSBP-XDHOZWIPSA-N
XLogP3.38
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.38
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-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
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-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
CID 135818049
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 1034070
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol (CID 135829051) is 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol is COc1ccc(C)cc1CC/N=C/c1cccc(OC)c1O.
What is the InChIKey of 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol?
The InChIKey is NQZIDPLUDASSBP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-7-8-16(21-2)14(11-13)9-10-19-12-15-5-4-6-17(22-3)18(15)20/h4-8,11-12,20H,9-10H2,1-3H3/b19-12+.
What are the key properties of 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol?
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 135829051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).