[2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate

C22H15ClO4 — CID 1241402

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

About [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 1241402) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID1241402
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClO4/c23-17-12-10-15(11-13-17)20(24)14-27-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyRDYKRGOYXBSXHR-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

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CID 739576
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CID 2731440
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CID 487110
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CID 44143787
CID 44143787
CID 44513673
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CID 44513995
CID 44513995
CID 44514299
CID 44514299
CID 44514579
CID 44514579
CID 587277
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CID 2841621
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CID 74823
CID 74823

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate (CID 1241402) is [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is RDYKRGOYXBSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO4/c23-17-12-10-15(11-13-17)20(24)14-27-22(26)19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate 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 [2-(4-chlorophenyl)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 1241402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).