azane;2,3-ditert-butyl-4-methylphenol

C15H27NO — CID 174660935

IUPACazane;2,3-ditert-butyl-4-methylphenol
SMILESCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C.N
InChIInChI=1S/C15H24O.H3N/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4;/h8-9,16H,1-7H3;1H3
InChIKeyXJUJAKKKAZPZAP-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.46
Rot. Bonds

About azane;2,3-ditert-butyl-4-methylphenol

azane;2,3-ditert-butyl-4-methylphenol (PubChem CID 174660935) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is azane;2,3-ditert-butyl-4-methylphenol.

Molecular Properties

Compound Nameazane;2,3-ditert-butyl-4-methylphenol
PubChem CID174660935
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameazane;2,3-ditert-butyl-4-methylphenol
SMILESCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C.N
InChIInChI=1S/C15H24O.H3N/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4;/h8-9,16H,1-7H3;1H3
InChIKeyXJUJAKKKAZPZAP-UHFFFAOYSA-N
XLogP4.46
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzoyl benzenecarboperoxoate;2,3-ditert-butyl-4-methylphenol
CID 174924594
2,3-ditert-butyl-4-methylphenol;pentyl dihydrogen phosphite
CID 174889664
4-tert-butyl-3,5,5-trimethylbenzo[b][1]benzogermole
CID 169026312
1-tert-butyl-5-methylnaphthalen-2-ol
CID 167253072
2,3-ditert-butyl-4-ethylphenol
CID 18994457
2,3-ditert-butyl-4-methylbenzoic acid
CID 141044713
2-tert-butyl-4-[(3-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-3-methylphenol
CID 54108299
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
3-tert-butyl-2-[(2-tert-butyl-6-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159115896
(2,3-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 150684584
2-tert-butyl-4-phenyl-3-sulfanylphenol
CID 18620250
2,3-ditert-butyl-4-cyclohexylphenol
CID 175031880

Frequently Asked Questions

What is the IUPAC name of azane;2,3-ditert-butyl-4-methylphenol?
The IUPAC name of azane;2,3-ditert-butyl-4-methylphenol (CID 174660935) is azane;2,3-ditert-butyl-4-methylphenol.
What is the SMILES notation for azane;2,3-ditert-butyl-4-methylphenol?
The canonical SMILES for azane;2,3-ditert-butyl-4-methylphenol is Cc1ccc(O)c(C(C)(C)C)c1C(C)(C)C.N.
What is the InChIKey of azane;2,3-ditert-butyl-4-methylphenol?
The InChIKey is XJUJAKKKAZPZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.H3N/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4;/h8-9,16H,1-7H3;1H3.
What are the key properties of azane;2,3-ditert-butyl-4-methylphenol?
azane;2,3-ditert-butyl-4-methylphenol has a molecular weight of 237.39 g/mol, XLogP of 4.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-ditert-butyl-4-methylphenol is sourced from PubChem (CID 174660935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).