2-chloro-6-(nitrosomethyl)phenol

C7H6ClNO2 — CID 91373743

IUPAC2-chloro-6-(nitrosomethyl)phenol
SMILESO=NCc1cccc(Cl)c1O
InChIInChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2
InChIKeyKSHYCCAXOWFKNH-UHFFFAOYSA-N
MW171.58 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-6-(nitrosomethyl)phenol

2-chloro-6-(nitrosomethyl)phenol (PubChem CID 91373743) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-chloro-6-(nitrosomethyl)phenol.

Molecular Properties

Compound Name2-chloro-6-(nitrosomethyl)phenol
PubChem CID91373743
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-chloro-6-(nitrosomethyl)phenol
SMILESO=NCc1cccc(Cl)c1O
InChIInChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2
InChIKeyKSHYCCAXOWFKNH-UHFFFAOYSA-N
XLogP2.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(nitrosomethyl)phenol
CID 91467054
1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768
2-chloro-6-[(2-hydroxyphenyl)methyl]phenol
CID 22151945
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
CID 112607031
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(nitrosomethyl)phenol?
The IUPAC name of 2-chloro-6-(nitrosomethyl)phenol (CID 91373743) is 2-chloro-6-(nitrosomethyl)phenol.
What is the SMILES notation for 2-chloro-6-(nitrosomethyl)phenol?
The canonical SMILES for 2-chloro-6-(nitrosomethyl)phenol is O=NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(nitrosomethyl)phenol?
The InChIKey is KSHYCCAXOWFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2.
What are the key properties of 2-chloro-6-(nitrosomethyl)phenol?
2-chloro-6-(nitrosomethyl)phenol has a molecular weight of 171.58 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(nitrosomethyl)phenol is sourced from PubChem (CID 91373743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).