4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol

C18H21NO3 — CID 135828952

IUPAC4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/[C@H](C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-12-5-8-18(22-4)16(9-12)13(2)19-11-14-10-15(21-3)6-7-17(14)20/h5-11,13,20H,1-4H3/b19-11+/t13-/m1/s1
InChIKeyDQEKRTFWSVMOHX-OTGIAGGSSA-N
MW299.37 g/mol
LogP3.90
Rot. Bonds5

About 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol

4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol (PubChem CID 135828952) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
PubChem CID135828952
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/[C@H](C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-12-5-8-18(22-4)16(9-12)13(2)19-11-14-10-15(21-3)6-7-17(14)20/h5-11,13,20H,1-4H3/b19-11+/t13-/m1/s1
InChIKeyDQEKRTFWSVMOHX-OTGIAGGSSA-N
XLogP3.90
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.90
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-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135758500
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 10539917
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol (CID 135828952) is 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol is COc1ccc(O)c(/C=N/[C@H](C)c2cc(C)ccc2OC)c1.
What is the InChIKey of 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol?
The InChIKey is DQEKRTFWSVMOHX-OTGIAGGSSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-5-8-18(22-4)16(9-12)13(2)19-11-14-10-15(21-3)6-7-17(14)20/h5-11,13,20H,1-4H3/b19-11+/t13-/m1/s1.
What are the key properties of 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol?
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 135828952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).