(4-chlorophenyl)methyl 2-benzoylbenzoate

C21H15ClO3 — CID 1218431

IUPAC(4-chlorophenyl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H15ClO3/c22-17-12-10-15(11-13-17)14-25-21(24)19-9-5-4-8-18(19)20(23)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyYQGAZWGZFYLNGI-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.93
Rot. Bonds5

About (4-chlorophenyl)methyl 2-benzoylbenzoate

(4-chlorophenyl)methyl 2-benzoylbenzoate (PubChem CID 1218431) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-benzoylbenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-benzoylbenzoate
PubChem CID1218431
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Name(4-chlorophenyl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H15ClO3/c22-17-12-10-15(11-13-17)14-25-21(24)19-9-5-4-8-18(19)20(23)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyYQGAZWGZFYLNGI-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-benzoylbenzoate?
The IUPAC name of (4-chlorophenyl)methyl 2-benzoylbenzoate (CID 1218431) is (4-chlorophenyl)methyl 2-benzoylbenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-benzoylbenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-benzoylbenzoate is O=C(OCc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-benzoylbenzoate?
The InChIKey is YQGAZWGZFYLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-17-12-10-15(11-13-17)14-25-21(24)19-9-5-4-8-18(19)20(23)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of (4-chlorophenyl)methyl 2-benzoylbenzoate?
(4-chlorophenyl)methyl 2-benzoylbenzoate 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 (4-chlorophenyl)methyl 2-benzoylbenzoate is sourced from PubChem (CID 1218431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).