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'}

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

2-chloro-4-(nitrosomethyl)phenol
CID 123274158
4-(nitrosomethyl)phenol
CID 54346225
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
(2S)-3-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138712858
3-(3,4-dihydroxyphenyl)propanethioic S-acid
CID 145421410
3-(3,4-dihydroxyphenyl)prop-1-en-1-one
CID 54070329
sodium (3,4-dihydroxyphenyl)methanesulfonate
CID 23706992
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753

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).