1-ethyl-4-(2-nitrosophenyl)benzene

C14H13NO — CID 87431486

IUPAC1-ethyl-4-(2-nitrosophenyl)benzene
SMILESCCc1ccc(-c2ccccc2N=O)cc1
InChIInChI=1S/C14H13NO/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15-16/h3-10H,2H2,1H3
InChIKeyZVPQLHNCXBPOEA-UHFFFAOYSA-N
MW211.26 g/mol
LogP4.31
Rot. Bonds3

About 1-ethyl-4-(2-nitrosophenyl)benzene

1-ethyl-4-(2-nitrosophenyl)benzene (PubChem CID 87431486) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-ethyl-4-(2-nitrosophenyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(2-nitrosophenyl)benzene
PubChem CID87431486
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-ethyl-4-(2-nitrosophenyl)benzene
SMILESCCc1ccc(-c2ccccc2N=O)cc1
InChIInChI=1S/C14H13NO/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15-16/h3-10H,2H2,1H3
InChIKeyZVPQLHNCXBPOEA-UHFFFAOYSA-N
XLogP4.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-nitrosophenyl)benzene?
The IUPAC name of 1-ethyl-4-(2-nitrosophenyl)benzene (CID 87431486) is 1-ethyl-4-(2-nitrosophenyl)benzene.
What is the SMILES notation for 1-ethyl-4-(2-nitrosophenyl)benzene?
The canonical SMILES for 1-ethyl-4-(2-nitrosophenyl)benzene is CCc1ccc(-c2ccccc2N=O)cc1.
What is the InChIKey of 1-ethyl-4-(2-nitrosophenyl)benzene?
The InChIKey is ZVPQLHNCXBPOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15-16/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-4-(2-nitrosophenyl)benzene?
1-ethyl-4-(2-nitrosophenyl)benzene has a molecular weight of 211.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-nitrosophenyl)benzene is sourced from PubChem (CID 87431486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).