(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol

C14H15AsClNO6 — CID 174437717

IUPAC(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol
SMILESCC(=O)Nc1c(O)cccc1[As](=O)(O)O.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10AsNO5.C6H5ClO/c1-5(11)10-8-6(9(13,14)15)3-2-4-7(8)12;7-5-1-3-6(8)4-2-5/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);1-4,8H
InChIKeyMODJFHMVJPBHLB-UHFFFAOYSA-N
MW403.65 g/mol
LogP0.96
Rot. Bonds2

About (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol

(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol (PubChem CID 174437717) has the molecular formula C14H15AsClNO6 and a molecular weight of 403.65 g/mol. Its IUPAC name is (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol.

Molecular Properties

Compound Name(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol
PubChem CID174437717
Molecular FormulaC14H15AsClNO6
Molecular Weight403.65 g/mol
Exact Mass402.98
IUPAC Name(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol
SMILESCC(=O)Nc1c(O)cccc1[As](=O)(O)O.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10AsNO5.C6H5ClO/c1-5(11)10-8-6(9(13,14)15)3-2-4-7(8)12;7-5-1-3-6(8)4-2-5/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);1-4,8H
InChIKeyMODJFHMVJPBHLB-UHFFFAOYSA-N
XLogP0.96
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol 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-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol?
The IUPAC name of (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol (CID 174437717) is (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol.
What is the SMILES notation for (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol?
The canonical SMILES for (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol is CC(=O)Nc1c(O)cccc1[As](=O)(O)O.Oc1ccc(Cl)cc1.
What is the InChIKey of (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol?
The InChIKey is MODJFHMVJPBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C6H5ClO/c1-5(11)10-8-6(9(13,14)15)3-2-4-7(8)12;7-5-1-3-6(8)4-2-5/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);1-4,8H.
What are the key properties of (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol?
(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol has a molecular weight of 403.65 g/mol, XLogP of 0.96, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol is sourced from PubChem (CID 174437717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).