(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate

C17H15NO4 — CID 10447329

IUPAC(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(NC(C)=O)c2)cc1
InChIInChI=1S/C17H15NO4/c1-3-12-4-7-14(8-5-12)22-17(21)13-6-9-16(20)15(10-13)18-11(2)19/h3-10,20H,1H2,2H3,(H,18,19)
InChIKeyGIZFCCIAJXWSKK-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.21
Rot. Bonds4

About (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate

(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate (PubChem CID 10447329) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate.

Molecular Properties

Compound Name(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate
PubChem CID10447329
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(NC(C)=O)c2)cc1
InChIInChI=1S/C17H15NO4/c1-3-12-4-7-14(8-5-12)22-17(21)13-6-9-16(20)15(10-13)18-11(2)19/h3-10,20H,1H2,2H3,(H,18,19)
InChIKeyGIZFCCIAJXWSKK-UHFFFAOYSA-N
XLogP3.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.21
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 (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate?
The IUPAC name of (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate (CID 10447329) is (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate.
What is the SMILES notation for (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate?
The canonical SMILES for (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate is C=Cc1ccc(OC(=O)c2ccc(O)c(NC(C)=O)c2)cc1.
What is the InChIKey of (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate?
The InChIKey is GIZFCCIAJXWSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-3-12-4-7-14(8-5-12)22-17(21)13-6-9-16(20)15(10-13)18-11(2)19/h3-10,20H,1H2,2H3,(H,18,19).
What are the key properties of (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate?
(4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate has a molecular weight of 297.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 3-acetamido-4-hydroxybenzoate is sourced from PubChem (CID 10447329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).