3-amino-6,8-ditert-butylchromen-4-one

C17H23NO2 — CID 102172550

IUPAC3-amino-6,8-ditert-butylchromen-4-one
SMILESCC(C)(C)c1cc(C(C)(C)C)c2occ(N)c(=O)c2c1
InChIInChI=1S/C17H23NO2/c1-16(2,3)10-7-11-14(19)13(18)9-20-15(11)12(8-10)17(4,5)6/h7-9H,18H2,1-6H3
InChIKeyUKXAUNHQKIXYOH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds

About 3-amino-6,8-ditert-butylchromen-4-one

3-amino-6,8-ditert-butylchromen-4-one (PubChem CID 102172550) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-amino-6,8-ditert-butylchromen-4-one.

Molecular Properties

Compound Name3-amino-6,8-ditert-butylchromen-4-one
PubChem CID102172550
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-amino-6,8-ditert-butylchromen-4-one
SMILESCC(C)(C)c1cc(C(C)(C)C)c2occ(N)c(=O)c2c1
InChIInChI=1S/C17H23NO2/c1-16(2,3)10-7-11-14(19)13(18)9-20-15(11)12(8-10)17(4,5)6/h7-9H,18H2,1-6H3
InChIKeyUKXAUNHQKIXYOH-UHFFFAOYSA-N
XLogP3.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate
CID 9158958
3-amino-6,8-dichlorochromen-4-one
CID 102172554
5,7-ditert-butyl-9-oxoxanthene-2-carboxylic acid
CID 12825848
3,5-ditert-butyl-2-methylaniline
CID 143364631
5,7-ditert-butyl-3-phenyl-1-benzofuran-2-amine
CID 11393088
6,8-ditert-butyl-4-oxochromene-2-carboxylate
CID 6919022
6,13-ditert-butyl-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-2,3,9,10-tetrone
CID 100972739
5,7-ditert-butyl-3-(2-ethoxy-4-ethyl-3,5-dimethylphenyl)-1-benzofuran
CID 150921014
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43332526
(5,7-ditert-butyl-1-benzofuran-2-yl)methanol
CID 65439941
1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-ditert-butylchromen-4-one?
The IUPAC name of 3-amino-6,8-ditert-butylchromen-4-one (CID 102172550) is 3-amino-6,8-ditert-butylchromen-4-one.
What is the SMILES notation for 3-amino-6,8-ditert-butylchromen-4-one?
The canonical SMILES for 3-amino-6,8-ditert-butylchromen-4-one is CC(C)(C)c1cc(C(C)(C)C)c2occ(N)c(=O)c2c1.
What is the InChIKey of 3-amino-6,8-ditert-butylchromen-4-one?
The InChIKey is UKXAUNHQKIXYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)10-7-11-14(19)13(18)9-20-15(11)12(8-10)17(4,5)6/h7-9H,18H2,1-6H3.
What are the key properties of 3-amino-6,8-ditert-butylchromen-4-one?
3-amino-6,8-ditert-butylchromen-4-one has a molecular weight of 273.38 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-ditert-butylchromen-4-one is sourced from PubChem (CID 102172550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).