2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol

C17H19NO3 — CID 136861221

IUPAC2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-12(17(20)13-6-4-3-5-7-13)18-11-14-10-15(21-2)8-9-16(14)19/h3-12,17,19-20H,1-2H3/b18-11+
InChIKeyXIRNTRPAOQLAFG-WOJGMQOQSA-N
MW285.34 g/mol
LogP2.94
Rot. Bonds5

About 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol

2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol (PubChem CID 136861221) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
PubChem CID136861221
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-12(17(20)13-6-4-3-5-7-13)18-11-14-10-15(21-2)8-9-16(14)19/h3-12,17,19-20H,1-2H3/b18-11+
InChIKeyXIRNTRPAOQLAFG-WOJGMQOQSA-N
XLogP2.94
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984
4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135512991
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135758500
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol (CID 136861221) is 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1.
What is the InChIKey of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol?
The InChIKey is XIRNTRPAOQLAFG-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(20)13-6-4-3-5-7-13)18-11-14-10-15(21-2)8-9-16(14)19/h3-12,17,19-20H,1-2H3/b18-11+.
What are the key properties of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol?
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 136861221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).