2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol

C23H22N2O2 — CID 154704907

IUPAC2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
SMILESCC(/N=C/c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17(24-15-19-11-5-7-13-21(19)26)23(18-9-3-2-4-10-18)25-16-20-12-6-8-14-22(20)27/h2-17,23,26-27H,1H3/b24-15+,25-16+
InChIKeyVITZOVGJWBYTLI-FEZYOMQXSA-N
MW358.44 g/mol
LogP4.77
Rot. Bonds6

About 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol

2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol (PubChem CID 154704907) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
PubChem CID154704907
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
SMILESCC(/N=C/c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17(24-15-19-11-5-7-13-21(19)26)23(18-9-3-2-4-10-18)25-16-20-12-6-8-14-22(20)27/h2-17,23,26-27H,1H3/b24-15+,25-16+
InChIKeyVITZOVGJWBYTLI-FEZYOMQXSA-N
XLogP4.77
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.77
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-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
CID 135514483
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-[[(1R,2S)-1,2-bis(3-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135431645
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
CID 135405295
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
2-chloro-6-[[(1S,2S)-2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203856
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
CID 139247890
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]iminomethyl]benzene-1,3-diol
CID 136694888
ethyl (4S,5S)-4,5-bis[(2-hydroxyphenyl)methylideneamino]-5-phenylpentanoate
CID 137288420

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol (CID 154704907) is 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol is CC(/N=C/c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is VITZOVGJWBYTLI-FEZYOMQXSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17(24-15-19-11-5-7-13-21(19)26)23(18-9-3-2-4-10-18)25-16-20-12-6-8-14-22(20)27/h2-17,23,26-27H,1H3/b24-15+,25-16+.
What are the key properties of 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol?
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 358.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 154704907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).