2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol

C19H23NO2 — CID 71519735

IUPAC2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol
SMILESCOc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1
InChIInChI=1S/C19H23NO2/c1-13-10-18(21)16(19(2,3)4)11-17(13)20-12-14-6-8-15(22-5)9-7-14/h6-12,21H,1-5H3/b20-12+
InChIKeyPETOZYHUJCKOIX-UDWIEESQSA-N
MW297.40 g/mol
LogP4.76
Rot. Bonds3

About 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol

2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol (PubChem CID 71519735) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol
PubChem CID71519735
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol
SMILESCOc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1
InChIInChI=1S/C19H23NO2/c1-13-10-18(21)16(19(2,3)4)11-17(13)20-12-14-6-8-15(22-5)9-7-14/h6-12,21H,1-5H3/b20-12+
InChIKeyPETOZYHUJCKOIX-UDWIEESQSA-N
XLogP4.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol?
The IUPAC name of 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol (CID 71519735) is 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol?
The canonical SMILES for 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol is COc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1.
What is the InChIKey of 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol?
The InChIKey is PETOZYHUJCKOIX-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-10-18(21)16(19(2,3)4)11-17(13)20-12-14-6-8-15(22-5)9-7-14/h6-12,21H,1-5H3/b20-12+.
What are the key properties of 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol?
2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol has a molecular weight of 297.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(4-methoxyphenyl)methylideneamino]-5-methylphenol is sourced from PubChem (CID 71519735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).