(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate

C25H17NO4 — CID 46187631

IUPAC(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1cccc(OC(=O)c2ccccc2)c1-c1ccccn1)c1ccccc1
InChIInChI=1S/C25H17NO4/c27-24(18-10-3-1-4-11-18)29-21-15-9-16-22(23(21)20-14-7-8-17-26-20)30-25(28)19-12-5-2-6-13-19/h1-17H
InChIKeyXZCIHNOUFNZPQH-UHFFFAOYSA-N
MW395.41 g/mol
LogP5.19
Rot. Bonds5

About (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate

(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate (PubChem CID 46187631) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate.

Molecular Properties

Compound Name(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
PubChem CID46187631
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1cccc(OC(=O)c2ccccc2)c1-c1ccccn1)c1ccccc1
InChIInChI=1S/C25H17NO4/c27-24(18-10-3-1-4-11-18)29-21-15-9-16-22(23(21)20-14-7-8-17-26-20)30-25(28)19-12-5-2-6-13-19/h1-17H
InChIKeyXZCIHNOUFNZPQH-UHFFFAOYSA-N
XLogP5.19
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187630
[3-(2-methylbenzoyl)oxy-2-pyridin-2-ylphenyl] 2-methylbenzoate
CID 46187632
[2-[(3-benzoyloxy-2-pyridinyl)disulfanyl]-3-pyridinyl] benzoate
CID 570399
[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046
(2,4-diphenyl-6-pyridin-2-ylphenyl) benzoate
CID 102481902
(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
CID 123135219
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
CID 4313462
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
(2-methanehydrazonoylphenyl) benzoate
CID 141428468
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161

Frequently Asked Questions

What is the IUPAC name of (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate?
The IUPAC name of (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate (CID 46187631) is (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate.
What is the SMILES notation for (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate?
The canonical SMILES for (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate is O=C(Oc1cccc(OC(=O)c2ccccc2)c1-c1ccccn1)c1ccccc1.
What is the InChIKey of (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate?
The InChIKey is XZCIHNOUFNZPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c27-24(18-10-3-1-4-11-18)29-21-15-9-16-22(23(21)20-14-7-8-17-26-20)30-25(28)19-12-5-2-6-13-19/h1-17H.
What are the key properties of (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate?
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate has a molecular weight of 395.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate is sourced from PubChem (CID 46187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).