2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol

C20H29NO3 — CID 11674356

IUPAC2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
SMILESCc1cc(CC(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1
InChIInChI=1S/C20H29NO3/c1-12-8-14(24-21-12)11-17(22)13-9-15(19(2,3)4)18(23)16(10-13)20(5,6)7/h8-10,17,22-23H,11H2,1-7H3
InChIKeyDJTMQGXQFFLAEZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.56
Rot. Bonds3

About 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol

2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol (PubChem CID 11674356) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
PubChem CID11674356
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
SMILESCc1cc(CC(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1
InChIInChI=1S/C20H29NO3/c1-12-8-14(24-21-12)11-17(22)13-9-15(19(2,3)4)18(23)16(10-13)20(5,6)7/h8-10,17,22-23H,11H2,1-7H3
InChIKeyDJTMQGXQFFLAEZ-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
CID 135994946
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-[(1S,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171237395
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
3-methyl-5-(2-methylbutyl)-1,2-oxazole
CID 89112070
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
CID 68534767
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 170875716

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol (CID 11674356) is 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol is Cc1cc(CC(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1.
What is the InChIKey of 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The InChIKey is DJTMQGXQFFLAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-12-8-14(24-21-12)11-17(22)13-9-15(19(2,3)4)18(23)16(10-13)20(5,6)7/h8-10,17,22-23H,11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol has a molecular weight of 331.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol is sourced from PubChem (CID 11674356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).