(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate

C23H19ClO3 — CID 7891565

IUPAC(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
SMILESCc1ccc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClO3/c1-15-7-8-16(2)18(13-15)14-27-23(26)21-6-4-3-5-20(21)22(25)17-9-11-19(24)12-10-17/h3-13H,14H2,1-2H3
InChIKeyIDDYFRAEGFQOLX-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.54
Rot. Bonds5

About (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate

(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate (PubChem CID 7891565) has the molecular formula C23H19ClO3 and a molecular weight of 378.86 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
PubChem CID7891565
Molecular FormulaC23H19ClO3
Molecular Weight378.86 g/mol
Exact Mass378.10
IUPAC Name(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
SMILESCc1ccc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClO3/c1-15-7-8-16(2)18(13-15)14-27-23(26)21-6-4-3-5-20(21)22(25)17-9-11-19(24)12-10-17/h3-13H,14H2,1-2H3
InChIKeyIDDYFRAEGFQOLX-UHFFFAOYSA-N
XLogP5.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718092
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
(2,5-dimethylphenyl)methyl 2-nitrobenzoate
CID 2662210
decyl 2-(4-chlorobenzoyl)benzoate
CID 175281654
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
(2,5-dimethylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994009

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate (CID 7891565) is (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate is Cc1ccc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate?
The InChIKey is IDDYFRAEGFQOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3/c1-15-7-8-16(2)18(13-15)14-27-23(26)21-6-4-3-5-20(21)22(25)17-9-11-19(24)12-10-17/h3-13H,14H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate?
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate has a molecular weight of 378.86 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 7891565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).