phenacyl 2-(4-chlorobenzoyl)benzoate

C22H15ClO4 — CID 2586328

IUPACphenacyl 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H15ClO4/c23-17-12-10-16(11-13-17)21(25)18-8-4-5-9-19(18)22(26)27-14-20(24)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyMWIIHOVLQIQKFQ-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.61
Rot. Bonds6

About phenacyl 2-(4-chlorobenzoyl)benzoate

phenacyl 2-(4-chlorobenzoyl)benzoate (PubChem CID 2586328) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is phenacyl 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Namephenacyl 2-(4-chlorobenzoyl)benzoate
PubChem CID2586328
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Namephenacyl 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H15ClO4/c23-17-12-10-16(11-13-17)21(25)18-8-4-5-9-19(18)22(26)27-14-20(24)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyMWIIHOVLQIQKFQ-UHFFFAOYSA-N
XLogP4.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
2-(4-chlorophenyl)sulfanylethyl 2-benzoylbenzoate
CID 7695819
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chlorobenzoyl)benzoate
CID 23905777
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
phenacyl 2-sulfanylbenzoate
CID 135032600

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of phenacyl 2-(4-chlorobenzoyl)benzoate (CID 2586328) is phenacyl 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for phenacyl 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for phenacyl 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of phenacyl 2-(4-chlorobenzoyl)benzoate?
The InChIKey is MWIIHOVLQIQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO4/c23-17-12-10-16(11-13-17)21(25)18-8-4-5-9-19(18)22(26)27-14-20(24)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of phenacyl 2-(4-chlorobenzoyl)benzoate?
phenacyl 2-(4-chlorobenzoyl)benzoate has a molecular weight of 378.81 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2586328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).