2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol

C19H23NO — CID 171500785

IUPAC2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
SMILES[H]/N=C/c1cc(C(C)C)cc(C(C)(C)c2ccccc2)c1O
InChIInChI=1S/C19H23NO/c1-13(2)14-10-15(12-20)18(21)17(11-14)19(3,4)16-8-6-5-7-9-16/h5-13,20-21H,1-4H3/b20-12+
InChIKeyKIHZLZFRRNZSDS-UDWIEESQSA-N
MW281.40 g/mol
LogP4.84
Rot. Bonds4

About 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol

2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol (PubChem CID 171500785) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
PubChem CID171500785
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
SMILES[H]/N=C/c1cc(C(C)C)cc(C(C)(C)c2ccccc2)c1O
InChIInChI=1S/C19H23NO/c1-13(2)14-10-15(12-20)18(21)17(11-14)19(3,4)16-8-6-5-7-9-16/h5-13,20-21H,1-4H3/b20-12+
InChIKeyKIHZLZFRRNZSDS-UDWIEESQSA-N
XLogP4.84
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 143668280
2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine
CID 144903145
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2,4-bis(2-phenylpropan-2-yl)-6-[(2-propan-2-ylphenyl)iminomethyl]phenol
CID 136694058
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
4-[2-[3,5-di(propan-2-yl)phenyl]propan-2-yl]benzene-1,2,3-triol
CID 87421100
cumene;bis(2,6-dimethyl-4-propan-2-ylphenol);4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 143666287
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The IUPAC name of 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol (CID 171500785) is 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The canonical SMILES for 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol is [H]/N=C/c1cc(C(C)C)cc(C(C)(C)c2ccccc2)c1O.
What is the InChIKey of 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The InChIKey is KIHZLZFRRNZSDS-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)14-10-15(12-20)18(21)17(11-14)19(3,4)16-8-6-5-7-9-16/h5-13,20-21H,1-4H3/b20-12+.
What are the key properties of 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol has a molecular weight of 281.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol is sourced from PubChem (CID 171500785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).