(3-benzoyloxy-4-chlorophenyl) benzoate

C20H13ClO4 — CID 102086549

IUPAC(3-benzoyloxy-4-chlorophenyl) benzoate
SMILESO=C(Oc1ccc(Cl)c(OC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H13ClO4/c21-17-12-11-16(24-19(22)14-7-3-1-4-8-14)13-18(17)25-20(23)15-9-5-2-6-10-15/h1-13H
InChIKeyTXFZTXJEGXHTGX-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.78
Rot. Bonds4

About (3-benzoyloxy-4-chlorophenyl) benzoate

(3-benzoyloxy-4-chlorophenyl) benzoate (PubChem CID 102086549) has the molecular formula C20H13ClO4 and a molecular weight of 352.77 g/mol. Its IUPAC name is (3-benzoyloxy-4-chlorophenyl) benzoate.

Molecular Properties

Compound Name(3-benzoyloxy-4-chlorophenyl) benzoate
PubChem CID102086549
Molecular FormulaC20H13ClO4
Molecular Weight352.77 g/mol
Exact Mass352.05
IUPAC Name(3-benzoyloxy-4-chlorophenyl) benzoate
SMILESO=C(Oc1ccc(Cl)c(OC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H13ClO4/c21-17-12-11-16(24-19(22)14-7-3-1-4-8-14)13-18(17)25-20(23)15-9-5-2-6-10-15/h1-13H
InChIKeyTXFZTXJEGXHTGX-UHFFFAOYSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-sulfamoylphenyl) benzoate
CID 174732277
(4-benzoyloxy-3-bromophenyl) benzoate
CID 1103889
4-O-[4-chloro-3-[4-(4-tetradecoxyphenoxy)carbonylbenzoyl]oxyphenyl] 1-O-(4-tetradecoxyphenyl) benzene-1,4-dicarboxylate
CID 102185339
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
CID 58982807
(3-acetyloxy-4-iodophenyl) benzoate
CID 139721003
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
[4-[4-chloro-3-[4-(4-undec-10-enoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-undec-10-enoxybenzoate
CID 90825906
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989

Frequently Asked Questions

What is the IUPAC name of (3-benzoyloxy-4-chlorophenyl) benzoate?
The IUPAC name of (3-benzoyloxy-4-chlorophenyl) benzoate (CID 102086549) is (3-benzoyloxy-4-chlorophenyl) benzoate.
What is the SMILES notation for (3-benzoyloxy-4-chlorophenyl) benzoate?
The canonical SMILES for (3-benzoyloxy-4-chlorophenyl) benzoate is O=C(Oc1ccc(Cl)c(OC(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of (3-benzoyloxy-4-chlorophenyl) benzoate?
The InChIKey is TXFZTXJEGXHTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO4/c21-17-12-11-16(24-19(22)14-7-3-1-4-8-14)13-18(17)25-20(23)15-9-5-2-6-10-15/h1-13H.
What are the key properties of (3-benzoyloxy-4-chlorophenyl) benzoate?
(3-benzoyloxy-4-chlorophenyl) benzoate has a molecular weight of 352.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyloxy-4-chlorophenyl) benzoate is sourced from PubChem (CID 102086549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).