(4-phenoxyphenyl) 4-aminobenzoate

C19H15NO3 — CID 2802704

IUPAC(4-phenoxyphenyl) 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15NO3/c20-15-8-6-14(7-9-15)19(21)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13H,20H2
InChIKeyMAIADPFQYQKTLE-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.28
Rot. Bonds4

About (4-phenoxyphenyl) 4-aminobenzoate

(4-phenoxyphenyl) 4-aminobenzoate (PubChem CID 2802704) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4-phenoxyphenyl) 4-aminobenzoate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 4-aminobenzoate
PubChem CID2802704
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(4-phenoxyphenyl) 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15NO3/c20-15-8-6-14(7-9-15)19(21)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13H,20H2
InChIKeyMAIADPFQYQKTLE-UHFFFAOYSA-N
XLogP4.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 4-aminobenzoate?
The IUPAC name of (4-phenoxyphenyl) 4-aminobenzoate (CID 2802704) is (4-phenoxyphenyl) 4-aminobenzoate.
What is the SMILES notation for (4-phenoxyphenyl) 4-aminobenzoate?
The canonical SMILES for (4-phenoxyphenyl) 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 4-aminobenzoate?
The InChIKey is MAIADPFQYQKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c20-15-8-6-14(7-9-15)19(21)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13H,20H2.
What are the key properties of (4-phenoxyphenyl) 4-aminobenzoate?
(4-phenoxyphenyl) 4-aminobenzoate has a molecular weight of 305.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 4-aminobenzoate is sourced from PubChem (CID 2802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).