methyl 5-methyl-2-(4-methylphenyl)benzoate

C16H16O2 — CID 22125905

IUPACmethyl 5-methyl-2-(4-methylphenyl)benzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-11-4-7-13(8-5-11)14-9-6-12(2)10-15(14)16(17)18-3/h4-10H,1-3H3
InChIKeyRADBNOXPAIVEOG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.76
Rot. Bonds2

About methyl 5-methyl-2-(4-methylphenyl)benzoate

methyl 5-methyl-2-(4-methylphenyl)benzoate (PubChem CID 22125905) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 5-methyl-2-(4-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(4-methylphenyl)benzoate
PubChem CID22125905
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl 5-methyl-2-(4-methylphenyl)benzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-11-4-7-13(8-5-11)14-9-6-12(2)10-15(14)16(17)18-3/h4-10H,1-3H3
InChIKeyRADBNOXPAIVEOG-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
CID 11844440
methyl 2-bromo-5-methylbenzoate
CID 15110996
ethane;methyl 5-methyl-2-sulfanylbenzoate
CID 142542587
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 2-(2-aminopropyl)-5-methylbenzoate
CID 91392427
methyl 2-(3-hydroxypropoxy)-5-methylbenzoate
CID 110885047
methyl 3-formyl-4-(4-methylphenyl)benzoate
CID 156580319
N,5-dimethyl-2-phenylbenzamide
CID 154716266
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(4-methylphenyl)benzoate?
The IUPAC name of methyl 5-methyl-2-(4-methylphenyl)benzoate (CID 22125905) is methyl 5-methyl-2-(4-methylphenyl)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(4-methylphenyl)benzoate?
The canonical SMILES for methyl 5-methyl-2-(4-methylphenyl)benzoate is COC(=O)c1cc(C)ccc1-c1ccc(C)cc1.
What is the InChIKey of methyl 5-methyl-2-(4-methylphenyl)benzoate?
The InChIKey is RADBNOXPAIVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-4-7-13(8-5-11)14-9-6-12(2)10-15(14)16(17)18-3/h4-10H,1-3H3.
What are the key properties of methyl 5-methyl-2-(4-methylphenyl)benzoate?
methyl 5-methyl-2-(4-methylphenyl)benzoate has a molecular weight of 240.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(4-methylphenyl)benzoate is sourced from PubChem (CID 22125905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).