anisole;cyanic acid

C8H9NO2 — CID 174663500

IUPACanisole;cyanic acid
SMILESCOc1ccccc1.N#CO
InChIInChI=1S/C7H8O.CHNO/c1-8-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;3H
InChIKeyDHZLLGMLSUFEGT-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.54
Rot. Bonds1

About anisole;cyanic acid

anisole;cyanic acid (PubChem CID 174663500) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is anisole;cyanic acid.

Molecular Properties

Compound Nameanisole;cyanic acid
PubChem CID174663500
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Nameanisole;cyanic acid
SMILESCOc1ccccc1.N#CO
InChIInChI=1S/C7H8O.CHNO/c1-8-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;3H
InChIKeyDHZLLGMLSUFEGT-UHFFFAOYSA-N
XLogP1.54
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze anisole;cyanic acid 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

CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
acetylene;anisole
CID 86033716
cyanic acid;4-methoxyphenol
CID 172812844
anisole;molecular nitrogen;sulfuric acid
CID 174681459
anisole;ethane;propan-2-one
CID 164986667
anisole;guanidine
CID 172735542
anisole;isocyanic acid
CID 175305824
anisole;trifluoroborane
CID 174665057
anisole;argon;propane
CID 165043377
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050

Frequently Asked Questions

What is the IUPAC name of anisole;cyanic acid?
The IUPAC name of anisole;cyanic acid (CID 174663500) is anisole;cyanic acid.
What is the SMILES notation for anisole;cyanic acid?
The canonical SMILES for anisole;cyanic acid is COc1ccccc1.N#CO.
What is the InChIKey of anisole;cyanic acid?
The InChIKey is DHZLLGMLSUFEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CHNO/c1-8-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;3H.
What are the key properties of anisole;cyanic acid?
anisole;cyanic acid has a molecular weight of 151.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;cyanic acid is sourced from PubChem (CID 174663500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).