4-tert-butyl-2-(4-methoxyanilino)phenol

C17H21NO2 — CID 50924521

IUPAC4-tert-butyl-2-(4-methoxyanilino)phenol
SMILESCOc1ccc(Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-5-10-16(19)15(11-12)18-13-6-8-14(20-4)9-7-13/h5-11,18-19H,1-4H3
InChIKeyOOSHBSKXGHIIAM-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.44
Rot. Bonds3

About 4-tert-butyl-2-(4-methoxyanilino)phenol

4-tert-butyl-2-(4-methoxyanilino)phenol (PubChem CID 50924521) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methoxyanilino)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methoxyanilino)phenol
PubChem CID50924521
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-tert-butyl-2-(4-methoxyanilino)phenol
SMILESCOc1ccc(Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-5-10-16(19)15(11-12)18-13-6-8-14(20-4)9-7-13/h5-11,18-19H,1-4H3
InChIKeyOOSHBSKXGHIIAM-UHFFFAOYSA-N
XLogP4.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol
CID 121002920
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methoxyanilino)phenol?
The IUPAC name of 4-tert-butyl-2-(4-methoxyanilino)phenol (CID 50924521) is 4-tert-butyl-2-(4-methoxyanilino)phenol.
What is the SMILES notation for 4-tert-butyl-2-(4-methoxyanilino)phenol?
The canonical SMILES for 4-tert-butyl-2-(4-methoxyanilino)phenol is COc1ccc(Nc2cc(C(C)(C)C)ccc2O)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-methoxyanilino)phenol?
The InChIKey is OOSHBSKXGHIIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)12-5-10-16(19)15(11-12)18-13-6-8-14(20-4)9-7-13/h5-11,18-19H,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methoxyanilino)phenol?
4-tert-butyl-2-(4-methoxyanilino)phenol has a molecular weight of 271.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methoxyanilino)phenol is sourced from PubChem (CID 50924521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).