2,6-ditert-butyl-4-(nitrosomethyl)phenol

C15H23NO2 — CID 54100018

IUPAC2,6-ditert-butyl-4-(nitrosomethyl)phenol
SMILESCC(C)(C)c1cc(CN=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyMZWZIXQRWPXBEY-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.25
Rot. Bonds2

About 2,6-ditert-butyl-4-(nitrosomethyl)phenol

2,6-ditert-butyl-4-(nitrosomethyl)phenol (PubChem CID 54100018) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(nitrosomethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(nitrosomethyl)phenol
PubChem CID54100018
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,6-ditert-butyl-4-(nitrosomethyl)phenol
SMILESCC(C)(C)c1cc(CN=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyMZWZIXQRWPXBEY-UHFFFAOYSA-N
XLogP4.25
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
4-[(benzhydrylideneamino)methyl]-2,6-ditert-butylphenol
CID 176907688
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylsulfonyl)phenyl]methyl]-2,6-ditert-butylphenol
CID 87994100
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
CID 159405265
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 174668759
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 157482776

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(nitrosomethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(nitrosomethyl)phenol (CID 54100018) is 2,6-ditert-butyl-4-(nitrosomethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(nitrosomethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(nitrosomethyl)phenol is CC(C)(C)c1cc(CN=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(nitrosomethyl)phenol?
The InChIKey is MZWZIXQRWPXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-8,17H,9H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(nitrosomethyl)phenol?
2,6-ditert-butyl-4-(nitrosomethyl)phenol has a molecular weight of 249.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(nitrosomethyl)phenol is sourced from PubChem (CID 54100018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).