(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate

C23H20O3 — CID 7718093

IUPAC(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2C)cc1
InChIInChI=1S/C23H20O3/c1-16-11-13-18(14-12-16)22(24)20-9-5-6-10-21(20)23(25)26-15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3
InChIKeyBURGAGRTSPCFSB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.89
Rot. Bonds5

About (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate

(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate (PubChem CID 7718093) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
PubChem CID7718093
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2C)cc1
InChIInChI=1S/C23H20O3/c1-16-11-13-18(14-12-16)22(24)20-9-5-6-10-21(20)23(25)26-15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3
InChIKeyBURGAGRTSPCFSB-UHFFFAOYSA-N
XLogP4.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718092
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
methyl 3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 18122257
methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 46600954
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate
CID 46528753
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
CID 16556463
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate (CID 7718093) is (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2C)cc1.
What is the InChIKey of (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The InChIKey is BURGAGRTSPCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-16-11-13-18(14-12-16)22(24)20-9-5-6-10-21(20)23(25)26-15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3.
What are the key properties of (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 7718093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).