(2,3-dicyano-4-hydroxyphenyl) acetate

C10H6N2O3 — CID 69337049

IUPAC(2,3-dicyano-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(C#N)c1C#N
InChIInChI=1S/C10H6N2O3/c1-6(13)15-10-3-2-9(14)7(4-11)8(10)5-12/h2-3,14H,1H3
InChIKeyDEKDAUYKXPRQOJ-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.06
Rot. Bonds1

About (2,3-dicyano-4-hydroxyphenyl) acetate

(2,3-dicyano-4-hydroxyphenyl) acetate (PubChem CID 69337049) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is (2,3-dicyano-4-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(2,3-dicyano-4-hydroxyphenyl) acetate
PubChem CID69337049
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name(2,3-dicyano-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(C#N)c1C#N
InChIInChI=1S/C10H6N2O3/c1-6(13)15-10-3-2-9(14)7(4-11)8(10)5-12/h2-3,14H,1H3
InChIKeyDEKDAUYKXPRQOJ-UHFFFAOYSA-N
XLogP1.06
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,3-dicyano-4-hydroxyphenyl) acetate 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 (2,3-dicyano-4-hydroxyphenyl) acetate?
The IUPAC name of (2,3-dicyano-4-hydroxyphenyl) acetate (CID 69337049) is (2,3-dicyano-4-hydroxyphenyl) acetate.
What is the SMILES notation for (2,3-dicyano-4-hydroxyphenyl) acetate?
The canonical SMILES for (2,3-dicyano-4-hydroxyphenyl) acetate is CC(=O)Oc1ccc(O)c(C#N)c1C#N.
What is the InChIKey of (2,3-dicyano-4-hydroxyphenyl) acetate?
The InChIKey is DEKDAUYKXPRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c1-6(13)15-10-3-2-9(14)7(4-11)8(10)5-12/h2-3,14H,1H3.
What are the key properties of (2,3-dicyano-4-hydroxyphenyl) acetate?
(2,3-dicyano-4-hydroxyphenyl) acetate has a molecular weight of 202.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dicyano-4-hydroxyphenyl) acetate is sourced from PubChem (CID 69337049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).