3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol

C24H29NO — CID 167069005

IUPAC3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol
SMILESCC(C)(C)c1cc(O)ccc1Nc1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C24H29NO/c1-23(2,3)20-9-7-8-16-10-11-17(14-19(16)20)25-22-13-12-18(26)15-21(22)24(4,5)6/h7-15,25-26H,1-6H3
InChIKeyCLSWXZXILHQMJT-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.88
Rot. Bonds2

About 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol

3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol (PubChem CID 167069005) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol.

Molecular Properties

Compound Name3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol
PubChem CID167069005
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol
SMILESCC(C)(C)c1cc(O)ccc1Nc1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C24H29NO/c1-23(2,3)20-9-7-8-16-10-11-17(14-19(16)20)25-22-13-12-18(26)15-21(22)24(4,5)6/h7-15,25-26H,1-6H3
InChIKeyCLSWXZXILHQMJT-UHFFFAOYSA-N
XLogP6.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol?
The IUPAC name of 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol (CID 167069005) is 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol.
What is the SMILES notation for 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol?
The canonical SMILES for 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol is CC(C)(C)c1cc(O)ccc1Nc1ccc2cccc(C(C)(C)C)c2c1.
What is the InChIKey of 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol?
The InChIKey is CLSWXZXILHQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-23(2,3)20-9-7-8-16-10-11-17(14-19(16)20)25-22-13-12-18(26)15-21(22)24(4,5)6/h7-15,25-26H,1-6H3.
What are the key properties of 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol?
3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol has a molecular weight of 347.50 g/mol, XLogP of 6.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol is sourced from PubChem (CID 167069005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).