2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol

C13H10ClNO3 — CID 91066436

IUPAC2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol
SMILESO=NCc1ccc(-c2ccc(O)cc2)c(Cl)c1O
InChIInChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-6,16-17H,7H2
InChIKeyCIYDFCOZUPKHFA-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol

2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol (PubChem CID 91066436) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol.

Molecular Properties

Compound Name2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol
PubChem CID91066436
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol
SMILESO=NCc1ccc(-c2ccc(O)cc2)c(Cl)c1O
InChIInChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-6,16-17H,7H2
InChIKeyCIYDFCOZUPKHFA-UHFFFAOYSA-N
XLogP3.68
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-3-(4-hydroxyphenyl)-6-(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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol?
The IUPAC name of 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol (CID 91066436) is 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol.
What is the SMILES notation for 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol?
The canonical SMILES for 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol is O=NCc1ccc(-c2ccc(O)cc2)c(Cl)c1O.
What is the InChIKey of 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol?
The InChIKey is CIYDFCOZUPKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-6,16-17H,7H2.
What are the key properties of 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol?
2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol has a molecular weight of 263.68 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-hydroxyphenyl)-6-(nitrosomethyl)phenol is sourced from PubChem (CID 91066436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).