3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol

C19H25NO — CID 70121497

IUPAC3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol
SMILESC/N=C1\C=CC(C(C)(C)C)=C(c2cc(C)cc(C)c2)C1O
InChIInChI=1S/C19H25NO/c1-12-9-13(2)11-14(10-12)17-15(19(3,4)5)7-8-16(20-6)18(17)21/h7-11,18,21H,1-6H3/b20-16+
InChIKeyDAYRKUMCMLRKFR-CAPFRKAQSA-N
MW283.42 g/mol
LogP4.10
Rot. Bonds1

About 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol

3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol (PubChem CID 70121497) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol
PubChem CID70121497
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol
SMILESC/N=C1\C=CC(C(C)(C)C)=C(c2cc(C)cc(C)c2)C1O
InChIInChI=1S/C19H25NO/c1-12-9-13(2)11-14(10-12)17-15(19(3,4)5)7-8-16(20-6)18(17)21/h7-11,18,21H,1-6H3/b20-16+
InChIKeyDAYRKUMCMLRKFR-CAPFRKAQSA-N
XLogP4.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol (CID 70121497) is 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol is C/N=C1\C=CC(C(C)(C)C)=C(c2cc(C)cc(C)c2)C1O.
What is the InChIKey of 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol?
The InChIKey is DAYRKUMCMLRKFR-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-9-13(2)11-14(10-12)17-15(19(3,4)5)7-8-16(20-6)18(17)21/h7-11,18,21H,1-6H3/b20-16+.
What are the key properties of 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol?
3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70121497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).