2,4-dichloro-6-(1-nitrosodecyl)phenol

C16H23Cl2NO2 — CID 123585991

IUPAC2,4-dichloro-6-(1-nitrosodecyl)phenol
SMILESCCCCCCCCCC(N=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H23Cl2NO2/c1-2-3-4-5-6-7-8-9-15(19-21)13-10-12(17)11-14(18)16(13)20/h10-11,15,20H,2-9H2,1H3
InChIKeyRXQAPYRFBPMLFY-UHFFFAOYSA-N
MW332.27 g/mol
LogP6.65
Rot. Bonds10

About 2,4-dichloro-6-(1-nitrosodecyl)phenol

2,4-dichloro-6-(1-nitrosodecyl)phenol (PubChem CID 123585991) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-nitrosodecyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(1-nitrosodecyl)phenol
PubChem CID123585991
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2,4-dichloro-6-(1-nitrosodecyl)phenol
SMILESCCCCCCCCCC(N=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H23Cl2NO2/c1-2-3-4-5-6-7-8-9-15(19-21)13-10-12(17)11-14(18)16(13)20/h10-11,15,20H,2-9H2,1H3
InChIKeyRXQAPYRFBPMLFY-UHFFFAOYSA-N
XLogP6.65
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
CID 70556848
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide
CID 54289316
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
2-[(1R)-1-aminopentyl]-4-chloro-6-methylphenol;hydrochloride
CID 171214986
2-(2,4,5-trichlorophenyl)tridecanoic acid
CID 70563348

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1-nitrosodecyl)phenol?
The IUPAC name of 2,4-dichloro-6-(1-nitrosodecyl)phenol (CID 123585991) is 2,4-dichloro-6-(1-nitrosodecyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(1-nitrosodecyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(1-nitrosodecyl)phenol is CCCCCCCCCC(N=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(1-nitrosodecyl)phenol?
The InChIKey is RXQAPYRFBPMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-2-3-4-5-6-7-8-9-15(19-21)13-10-12(17)11-14(18)16(13)20/h10-11,15,20H,2-9H2,1H3.
What are the key properties of 2,4-dichloro-6-(1-nitrosodecyl)phenol?
2,4-dichloro-6-(1-nitrosodecyl)phenol has a molecular weight of 332.27 g/mol, XLogP of 6.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-nitrosodecyl)phenol is sourced from PubChem (CID 123585991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).