methyl 2-(4-methylphenyl)benzoate

C15H14O2 — CID 1393873

IUPACmethyl 2-(4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
InChIKeyIHNIAWHITVGYJJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.45
Rot. Bonds2

About methyl 2-(4-methylphenyl)benzoate

methyl 2-(4-methylphenyl)benzoate (PubChem CID 1393873) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)benzoate
PubChem CID1393873
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-(4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
InChIKeyIHNIAWHITVGYJJ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)benzoate?
The IUPAC name of methyl 2-(4-methylphenyl)benzoate (CID 1393873) is methyl 2-(4-methylphenyl)benzoate.
What is the SMILES notation for methyl 2-(4-methylphenyl)benzoate?
The canonical SMILES for methyl 2-(4-methylphenyl)benzoate is COC(=O)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenyl)benzoate?
The InChIKey is IHNIAWHITVGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)benzoate?
methyl 2-(4-methylphenyl)benzoate has a molecular weight of 226.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)benzoate is sourced from PubChem (CID 1393873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).