(4-ethenylphenyl) 3-amino-4-hydroxybenzoate

C15H13NO3 — CID 10422480

IUPAC(4-ethenylphenyl) 3-amino-4-hydroxybenzoate
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C15H13NO3/c1-2-10-3-6-12(7-4-10)19-15(18)11-5-8-14(17)13(16)9-11/h2-9,17H,1,16H2
InChIKeyRWDKQKLCXJVELF-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.84
Rot. Bonds3

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

(4-ethenylphenyl) 3-amino-4-hydroxybenzoate (PubChem CID 10422480) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4-ethenylphenyl) 3-amino-4-hydroxybenzoate.

Molecular Properties

Compound Name(4-ethenylphenyl) 3-amino-4-hydroxybenzoate
PubChem CID10422480
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(4-ethenylphenyl) 3-amino-4-hydroxybenzoate
SMILESC=Cc1ccc(OC(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C15H13NO3/c1-2-10-3-6-12(7-4-10)19-15(18)11-5-8-14(17)13(16)9-11/h2-9,17H,1,16H2
InChIKeyRWDKQKLCXJVELF-UHFFFAOYSA-N
XLogP2.84
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-4-hydroxybenzoate?
The IUPAC name of (4-ethenylphenyl) 3-amino-4-hydroxybenzoate (CID 10422480) is (4-ethenylphenyl) 3-amino-4-hydroxybenzoate.
What is the SMILES notation for (4-ethenylphenyl) 3-amino-4-hydroxybenzoate?
The canonical SMILES for (4-ethenylphenyl) 3-amino-4-hydroxybenzoate is C=Cc1ccc(OC(=O)c2ccc(O)c(N)c2)cc1.
What is the InChIKey of (4-ethenylphenyl) 3-amino-4-hydroxybenzoate?
The InChIKey is RWDKQKLCXJVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-10-3-6-12(7-4-10)19-15(18)11-5-8-14(17)13(16)9-11/h2-9,17H,1,16H2.
What are the key properties of (4-ethenylphenyl) 3-amino-4-hydroxybenzoate?
(4-ethenylphenyl) 3-amino-4-hydroxybenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 3-amino-4-hydroxybenzoate is sourced from PubChem (CID 10422480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).