[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate

C26H19NO5 — CID 54522633

IUPAC[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(Nc1cccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1)Oc1ccccc1
InChIInChI=1S/C26H19NO5/c28-22-15-13-19(14-16-22)18-9-11-20(12-10-18)25(29)31-24-8-4-5-21(17-24)27-26(30)32-23-6-2-1-3-7-23/h1-17,28H,(H,27,30)
InChIKeyYQXKYXWANBEBJD-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.89
Rot. Bonds5

About [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate

[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 54522633) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID54522633
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(Nc1cccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1)Oc1ccccc1
InChIInChI=1S/C26H19NO5/c28-22-15-13-19(14-16-22)18-9-11-20(12-10-18)25(29)31-24-8-4-5-21(17-24)27-26(30)32-23-6-2-1-3-7-23/h1-17,28H,(H,27,30)
InChIKeyYQXKYXWANBEBJD-UHFFFAOYSA-N
XLogP5.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
phenyl 4-(methoxycarbonylamino)benzoate
CID 17123939
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
CID 101414949
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate (CID 54522633) is [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate is O=C(Nc1cccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1)Oc1ccccc1.
What is the InChIKey of [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is YQXKYXWANBEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO5/c28-22-15-13-19(14-16-22)18-9-11-20(12-10-18)25(29)31-24-8-4-5-21(17-24)27-26(30)32-23-6-2-1-3-7-23/h1-17,28H,(H,27,30).
What are the key properties of [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate?
[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 425.44 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 54522633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).