4-(nitrosomethyl)benzene-1,2-diol

C7H7NO3 — CID 54043215

IUPAC4-(nitrosomethyl)benzene-1,2-diol
SMILESO=NCc1ccc(O)c(O)c1
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)3-7(6)10/h1-3,9-10H,4H2
InChIKeyLNUGNUIYRSGUJT-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.36
Rot. Bonds2

About 4-(nitrosomethyl)benzene-1,2-diol

4-(nitrosomethyl)benzene-1,2-diol (PubChem CID 54043215) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-(nitrosomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(nitrosomethyl)benzene-1,2-diol
PubChem CID54043215
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-(nitrosomethyl)benzene-1,2-diol
SMILESO=NCc1ccc(O)c(O)c1
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)3-7(6)10/h1-3,9-10H,4H2
InChIKeyLNUGNUIYRSGUJT-UHFFFAOYSA-N
XLogP1.36
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(nitrosomethyl)benzene-1,2-diol?
The IUPAC name of 4-(nitrosomethyl)benzene-1,2-diol (CID 54043215) is 4-(nitrosomethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(nitrosomethyl)benzene-1,2-diol?
The canonical SMILES for 4-(nitrosomethyl)benzene-1,2-diol is O=NCc1ccc(O)c(O)c1.
What is the InChIKey of 4-(nitrosomethyl)benzene-1,2-diol?
The InChIKey is LNUGNUIYRSGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)3-7(6)10/h1-3,9-10H,4H2.
What are the key properties of 4-(nitrosomethyl)benzene-1,2-diol?
4-(nitrosomethyl)benzene-1,2-diol has a molecular weight of 153.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nitrosomethyl)benzene-1,2-diol is sourced from PubChem (CID 54043215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).