4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol

C16H17NO2 — CID 135757890

IUPAC4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccccc2C)c1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-13(12)10-17-11-14-9-15(19-2)7-8-16(14)18/h3-9,11,18H,10H2,1-2H3/b17-11+
InChIKeyHRWHWZMKWPBZIR-GZTJUZNOSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol

4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol (PubChem CID 135757890) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
PubChem CID135757890
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccccc2C)c1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-13(12)10-17-11-14-9-15(19-2)7-8-16(14)18/h3-9,11,18H,10H2,1-2H3/b17-11+
InChIKeyHRWHWZMKWPBZIR-GZTJUZNOSA-N
XLogP3.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
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-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 135597134
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135818045
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 135758068

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol (CID 135757890) is 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol is COc1ccc(O)c(/C=N/Cc2ccccc2C)c1.
What is the InChIKey of 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol?
The InChIKey is HRWHWZMKWPBZIR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-3-4-6-13(12)10-17-11-14-9-15(19-2)7-8-16(14)18/h3-9,11,18H,10H2,1-2H3/b17-11+.
What are the key properties of 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol?
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135757890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).