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

C17H19NO2 — CID 136861223

IUPAC2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-16(19)15(10-12)11-18-13(2)17(20)14-6-4-3-5-7-14/h3-11,13,17,19-20H,1-2H3/b18-11+
InChIKeyDDHAJBNRUBZHDQ-WOJGMQOQSA-N
MW269.34 g/mol
LogP3.24
Rot. Bonds4

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

2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol (PubChem CID 136861223) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
PubChem CID136861223
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-16(19)15(10-12)11-18-13(2)17(20)14-6-4-3-5-7-14/h3-11,13,17,19-20H,1-2H3/b18-11+
InChIKeyDDHAJBNRUBZHDQ-WOJGMQOQSA-N
XLogP3.24
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116812
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135512991
4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
CID 46222276
CID 46222276
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol (CID 136861223) is 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/C(C)C(O)c2ccccc2)c1.
What is the InChIKey of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol?
The InChIKey is DDHAJBNRUBZHDQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-9-16(19)15(10-12)11-18-13(2)17(20)14-6-4-3-5-7-14/h3-11,13,17,19-20H,1-2H3/b18-11+.
What are the key properties of 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol?
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol has a molecular weight of 269.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 136861223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).