(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate

C19H15NO3 — CID 54018499

IUPAC(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
SMILESNc1ccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H15NO3/c20-16-7-11-18(12-8-16)23-19(22)15-3-1-13(2-4-15)14-5-9-17(21)10-6-14/h1-12,21H,20H2
InChIKeyKXHBMMRMUFCWOF-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.86
Rot. Bonds3

About (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate

(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate (PubChem CID 54018499) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
PubChem CID54018499
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
SMILESNc1ccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H15NO3/c20-16-7-11-18(12-8-16)23-19(22)15-3-1-13(2-4-15)14-5-9-17(21)10-6-14/h1-12,21H,20H2
InChIKeyKXHBMMRMUFCWOF-UHFFFAOYSA-N
XLogP3.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate
CID 145268209
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
CID 154692007
(4-aminophenyl) 4-[4-(2-chlorophenoxy)carbonylphenyl]benzoate
CID 68529693

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate (CID 54018499) is (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate is Nc1ccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate?
The InChIKey is KXHBMMRMUFCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c20-16-7-11-18(12-8-16)23-19(22)15-3-1-13(2-4-15)14-5-9-17(21)10-6-14/h1-12,21H,20H2.
What are the key properties of (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate?
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate has a molecular weight of 305.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 54018499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).