2-(2-methylpentyl)-4-nitrosophenol

C12H17NO2 — CID 139609707

IUPAC2-(2-methylpentyl)-4-nitrosophenol
SMILESCCCC(C)Cc1cc(N=O)ccc1O
InChIInChI=1S/C12H17NO2/c1-3-4-9(2)7-10-8-11(13-15)5-6-12(10)14/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyUBJSAIMJTTWJMT-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-methylpentyl)-4-nitrosophenol

2-(2-methylpentyl)-4-nitrosophenol (PubChem CID 139609707) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-methylpentyl)-4-nitrosophenol.

Molecular Properties

Compound Name2-(2-methylpentyl)-4-nitrosophenol
PubChem CID139609707
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-methylpentyl)-4-nitrosophenol
SMILESCCCC(C)Cc1cc(N=O)ccc1O
InChIInChI=1S/C12H17NO2/c1-3-4-9(2)7-10-8-11(13-15)5-6-12(10)14/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyUBJSAIMJTTWJMT-UHFFFAOYSA-N
XLogP3.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitroso-2-pentylphenol
CID 88799968
2-hexyl-4-nitrosophenol
CID 139609706
2-(2-methylhexyl)phenol
CID 70468814
2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol
CID 136617946
2-(2-methyltetradecyl)phenol
CID 154276736
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
CID 139671739
2-bromo-4-nitrosophenol
CID 23270210
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
CID 73102234
2-(methylamino)-4-nitrosophenol
CID 10130054
(2-methyl-5-nitrosophenyl)methanol
CID 123266792
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentyl)-4-nitrosophenol?
The IUPAC name of 2-(2-methylpentyl)-4-nitrosophenol (CID 139609707) is 2-(2-methylpentyl)-4-nitrosophenol.
What is the SMILES notation for 2-(2-methylpentyl)-4-nitrosophenol?
The canonical SMILES for 2-(2-methylpentyl)-4-nitrosophenol is CCCC(C)Cc1cc(N=O)ccc1O.
What is the InChIKey of 2-(2-methylpentyl)-4-nitrosophenol?
The InChIKey is UBJSAIMJTTWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-9(2)7-10-8-11(13-15)5-6-12(10)14/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-methylpentyl)-4-nitrosophenol?
2-(2-methylpentyl)-4-nitrosophenol has a molecular weight of 207.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-4-nitrosophenol is sourced from PubChem (CID 139609707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).