1-tert-butyl-4-(4-nitrosophenyl)benzene

C16H17NO — CID 3025980

IUPAC1-tert-butyl-4-(4-nitrosophenyl)benzene
SMILESCC(C)(C)c1ccc(-c2ccc(N=O)cc2)cc1
InChIInChI=1S/C16H17NO/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17-18)11-7-13/h4-11H,1-3H3
InChIKeyRFJIAAZMIODMAF-UHFFFAOYSA-N
MW239.32 g/mol
LogP5.05
Rot. Bonds2

About 1-tert-butyl-4-(4-nitrosophenyl)benzene

1-tert-butyl-4-(4-nitrosophenyl)benzene (PubChem CID 3025980) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-nitrosophenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-nitrosophenyl)benzene
PubChem CID3025980
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-tert-butyl-4-(4-nitrosophenyl)benzene
SMILESCC(C)(C)c1ccc(-c2ccc(N=O)cc2)cc1
InChIInChI=1S/C16H17NO/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17-18)11-7-13/h4-11H,1-3H3
InChIKeyRFJIAAZMIODMAF-UHFFFAOYSA-N
XLogP5.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-nitrosophenyl)benzene?
The IUPAC name of 1-tert-butyl-4-(4-nitrosophenyl)benzene (CID 3025980) is 1-tert-butyl-4-(4-nitrosophenyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4-nitrosophenyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(4-nitrosophenyl)benzene is CC(C)(C)c1ccc(-c2ccc(N=O)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-nitrosophenyl)benzene?
The InChIKey is RFJIAAZMIODMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17-18)11-7-13/h4-11H,1-3H3.
What are the key properties of 1-tert-butyl-4-(4-nitrosophenyl)benzene?
1-tert-butyl-4-(4-nitrosophenyl)benzene has a molecular weight of 239.32 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-nitrosophenyl)benzene is sourced from PubChem (CID 3025980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).