benzyl 2-(4-chlorobenzoyl)benzoate

C21H15ClO3 — CID 2375754

IUPACbenzyl 2-(4-chlorobenzoyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-17-12-10-16(11-13-17)20(23)18-8-4-5-9-19(18)21(24)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLEUZHDBNCNAOOO-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.93
Rot. Bonds5

About benzyl 2-(4-chlorobenzoyl)benzoate

benzyl 2-(4-chlorobenzoyl)benzoate (PubChem CID 2375754) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is benzyl 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Namebenzyl 2-(4-chlorobenzoyl)benzoate
PubChem CID2375754
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Namebenzyl 2-(4-chlorobenzoyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-17-12-10-16(11-13-17)20(23)18-8-4-5-9-19(18)21(24)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLEUZHDBNCNAOOO-UHFFFAOYSA-N
XLogP4.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
decyl 2-(4-chlorobenzoyl)benzoate
CID 175281654
2-(4-chlorophenyl)sulfanylethyl 2-benzoylbenzoate
CID 7695819
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
(4-nitrophenyl)methyl 2-benzoylbenzoate
CID 4601461
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-(4-chlorobenzoyl)benzoate
CID 4626507
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2334730
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of benzyl 2-(4-chlorobenzoyl)benzoate (CID 2375754) is benzyl 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for benzyl 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for benzyl 2-(4-chlorobenzoyl)benzoate is O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of benzyl 2-(4-chlorobenzoyl)benzoate?
The InChIKey is LEUZHDBNCNAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-17-12-10-16(11-13-17)20(23)18-8-4-5-9-19(18)21(24)25-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of benzyl 2-(4-chlorobenzoyl)benzoate?
benzyl 2-(4-chlorobenzoyl)benzoate has a molecular weight of 350.80 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2375754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).