methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate

C23H20O3 — CID 10545389

IUPACmethyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cc1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C23H20O3/c1-16-9-3-6-12-19(16)22(24)20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)23(25)26-2/h3-14H,15H2,1-2H3
InChIKeyXQBMUJFIGIGDNF-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.60
Rot. Bonds5

About methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate

methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate (PubChem CID 10545389) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
PubChem CID10545389
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Namemethyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cc1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C23H20O3/c1-16-9-3-6-12-19(16)22(24)20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)23(25)26-2/h3-14H,15H2,1-2H3
InChIKeyXQBMUJFIGIGDNF-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate
CID 18962660
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylsulfanylmethyl)benzoate
CID 22072820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate?
The IUPAC name of methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate (CID 10545389) is methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate is COC(=O)c1ccccc1Cc1ccccc1C(=O)c1ccccc1C.
What is the InChIKey of methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate?
The InChIKey is XQBMUJFIGIGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-16-9-3-6-12-19(16)22(24)20-13-7-4-10-17(20)15-18-11-5-8-14-21(18)23(25)26-2/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate?
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate has a molecular weight of 344.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate is sourced from PubChem (CID 10545389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).