2-chloro-4-(nitrosomethyl)phenol

C7H6ClNO2 — CID 123274158

IUPAC2-chloro-4-(nitrosomethyl)phenol
SMILESO=NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-3,10H,4H2
InChIKeyYKSFUBWUQIRWNH-UHFFFAOYSA-N
MW171.58 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-4-(nitrosomethyl)phenol

2-chloro-4-(nitrosomethyl)phenol (PubChem CID 123274158) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-chloro-4-(nitrosomethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(nitrosomethyl)phenol
PubChem CID123274158
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-chloro-4-(nitrosomethyl)phenol
SMILESO=NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-3,10H,4H2
InChIKeyYKSFUBWUQIRWNH-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

Analyze 2-chloro-4-(nitrosomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(nitrosomethyl)benzene-1,2-diol
CID 54043215
4-(azidomethyl)-2-chlorophenol
CID 150971628
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
CID 117220121
1-(3-chloro-4-hydroxyphenyl)pentan-3-one
CID 154645816
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-(2-amino-2-methylpropyl)-2-chlorophenol
CID 12826919
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(nitrosomethyl)phenol?
The IUPAC name of 2-chloro-4-(nitrosomethyl)phenol (CID 123274158) is 2-chloro-4-(nitrosomethyl)phenol.
What is the SMILES notation for 2-chloro-4-(nitrosomethyl)phenol?
The canonical SMILES for 2-chloro-4-(nitrosomethyl)phenol is O=NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(nitrosomethyl)phenol?
The InChIKey is YKSFUBWUQIRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-3,10H,4H2.
What are the key properties of 2-chloro-4-(nitrosomethyl)phenol?
2-chloro-4-(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-4-(nitrosomethyl)phenol is sourced from PubChem (CID 123274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).