(3-acetamido-4-hydroxyphenyl) acetate

C10H11NO4 — CID 134855112

IUPAC(3-acetamido-4-hydroxyphenyl) acetate
SMILESCC(=O)Nc1cc(OC(C)=O)ccc1O
InChIInChI=1S/C10H11NO4/c1-6(12)11-9-5-8(15-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,12)
InChIKeyMYUUVYPKCAOGSR-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.28
Rot. Bonds2

About (3-acetamido-4-hydroxyphenyl) acetate

(3-acetamido-4-hydroxyphenyl) acetate (PubChem CID 134855112) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3-acetamido-4-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(3-acetamido-4-hydroxyphenyl) acetate
PubChem CID134855112
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3-acetamido-4-hydroxyphenyl) acetate
SMILESCC(=O)Nc1cc(OC(C)=O)ccc1O
InChIInChI=1S/C10H11NO4/c1-6(12)11-9-5-8(15-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,12)
InChIKeyMYUUVYPKCAOGSR-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-acetamido-4-hydroxyphenyl) acetate?
The IUPAC name of (3-acetamido-4-hydroxyphenyl) acetate (CID 134855112) is (3-acetamido-4-hydroxyphenyl) acetate.
What is the SMILES notation for (3-acetamido-4-hydroxyphenyl) acetate?
The canonical SMILES for (3-acetamido-4-hydroxyphenyl) acetate is CC(=O)Nc1cc(OC(C)=O)ccc1O.
What is the InChIKey of (3-acetamido-4-hydroxyphenyl) acetate?
The InChIKey is MYUUVYPKCAOGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)11-9-5-8(15-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,12).
What are the key properties of (3-acetamido-4-hydroxyphenyl) acetate?
(3-acetamido-4-hydroxyphenyl) acetate has a molecular weight of 209.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-4-hydroxyphenyl) acetate is sourced from PubChem (CID 134855112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).