2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol

C25H27NO2 — CID 136723302

IUPAC2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2O)c1O
InChIInChI=1S/C25H27NO2/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-15-18-9-7-13-22(25(18)28)21-10-5-6-14-23(21)27/h5-17,27-28H,1-4H3/b26-15+
InChIKeyIQHIWIWTZWCDQM-CVKSISIWSA-N
MW373.50 g/mol
LogP6.76
Rot. Bonds5

About 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol

2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol (PubChem CID 136723302) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
PubChem CID136723302
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2O)c1O
InChIInChI=1S/C25H27NO2/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-15-18-9-7-13-22(25(18)28)21-10-5-6-14-23(21)27/h5-17,27-28H,1-4H3/b26-15+
InChIKeyIQHIWIWTZWCDQM-CVKSISIWSA-N
XLogP6.76
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.76
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-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
acetonitrile;2-anthracen-9-yl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenol;carbanide;nickel
CID 135497174
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
CID 145257725
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
CID 160938473
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 136747675

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol (CID 136723302) is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2O)c1O.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol?
The InChIKey is IQHIWIWTZWCDQM-CVKSISIWSA-N. The full InChI is InChI=1S/C25H27NO2/c1-16(2)19-11-8-12-20(17(3)4)24(19)26-15-18-9-7-13-22(25(18)28)21-10-5-6-14-23(21)27/h5-17,27-28H,1-4H3/b26-15+.
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol?
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol has a molecular weight of 373.50 g/mol, XLogP of 6.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 136723302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).