2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol

C20H20N2O — CID 136503558

IUPAC2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol
SMILESCC(C)(c1ccccc1)c1cccc(C=Nn2cccc2)c1O
InChIInChI=1S/C20H20N2O/c1-20(2,17-10-4-3-5-11-17)18-12-8-9-16(19(18)23)15-21-22-13-6-7-14-22/h3-15,23H,1-2H3
InChIKeyXTBSQKFKAXHDIQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol

2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol (PubChem CID 136503558) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol
PubChem CID136503558
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol
SMILESCC(C)(c1ccccc1)c1cccc(C=Nn2cccc2)c1O
InChIInChI=1S/C20H20N2O/c1-20(2,17-10-4-3-5-11-17)18-12-8-9-16(19(18)23)15-21-22-13-6-7-14-22/h3-15,23H,1-2H3
InChIKeyXTBSQKFKAXHDIQ-UHFFFAOYSA-N
XLogP4.40
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
CID 76558159
bis(2-[(2-but-3-enoxyphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol);dichlorotitanium
CID 137176075
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-tert-butyl-6-[[2,4,6-tris(pentafluoro-λ6-sulfanyl)phenyl]iminomethyl]phenol
CID 153465269

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol?
The IUPAC name of 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol (CID 136503558) is 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol is CC(C)(c1ccccc1)c1cccc(C=Nn2cccc2)c1O.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol?
The InChIKey is XTBSQKFKAXHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,17-10-4-3-5-11-17)18-12-8-9-16(19(18)23)15-21-22-13-6-7-14-22/h3-15,23H,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol?
2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol has a molecular weight of 304.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol is sourced from PubChem (CID 136503558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).