ethane;4-ethyl-2-nitrosophenol

C10H15NO2 — CID 177045182

IUPACethane;4-ethyl-2-nitrosophenol
SMILESCC.CCc1ccc(O)c(N=O)c1
InChIInChI=1S/C8H9NO2.C2H6/c1-2-6-3-4-8(10)7(5-6)9-11;1-2/h3-5,10H,2H2,1H3;1-2H3
InChIKeyAMDJDRAJHGSSQC-UHFFFAOYSA-N
MW181.23 g/mol
LogP3.38
Rot. Bonds2

About ethane;4-ethyl-2-nitrosophenol

ethane;4-ethyl-2-nitrosophenol (PubChem CID 177045182) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;4-ethyl-2-nitrosophenol.

Molecular Properties

Compound Nameethane;4-ethyl-2-nitrosophenol
PubChem CID177045182
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;4-ethyl-2-nitrosophenol
SMILESCC.CCc1ccc(O)c(N=O)c1
InChIInChI=1S/C8H9NO2.C2H6/c1-2-6-3-4-8(10)7(5-6)9-11;1-2/h3-5,10H,2H2,1H3;1-2H3
InChIKeyAMDJDRAJHGSSQC-UHFFFAOYSA-N
XLogP3.38
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-nitrosophenol?
The IUPAC name of ethane;4-ethyl-2-nitrosophenol (CID 177045182) is ethane;4-ethyl-2-nitrosophenol.
What is the SMILES notation for ethane;4-ethyl-2-nitrosophenol?
The canonical SMILES for ethane;4-ethyl-2-nitrosophenol is CC.CCc1ccc(O)c(N=O)c1.
What is the InChIKey of ethane;4-ethyl-2-nitrosophenol?
The InChIKey is AMDJDRAJHGSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-2-6-3-4-8(10)7(5-6)9-11;1-2/h3-5,10H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-nitrosophenol?
ethane;4-ethyl-2-nitrosophenol has a molecular weight of 181.23 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-nitrosophenol is sourced from PubChem (CID 177045182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).