methyl 3-methyl-5-(2-methylphenyl)benzoate

C16H16O2 — CID 158969225

IUPACmethyl 3-methyl-5-(2-methylphenyl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2ccccc2C)c1
InChIInChI=1S/C16H16O2/c1-11-8-13(10-14(9-11)16(17)18-3)15-7-5-4-6-12(15)2/h4-10H,1-3H3
InChIKeyDCUXRGMDNSCSAX-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.76
Rot. Bonds2

About methyl 3-methyl-5-(2-methylphenyl)benzoate

methyl 3-methyl-5-(2-methylphenyl)benzoate (PubChem CID 158969225) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-methyl-5-(2-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(2-methylphenyl)benzoate
PubChem CID158969225
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl 3-methyl-5-(2-methylphenyl)benzoate
SMILESCOC(=O)c1cc(C)cc(-c2ccccc2C)c1
InChIInChI=1S/C16H16O2/c1-11-8-13(10-14(9-11)16(17)18-3)15-7-5-4-6-12(15)2/h4-10H,1-3H3
InChIKeyDCUXRGMDNSCSAX-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 3-methyl-5-(2-propan-2-ylphenyl)benzoate
CID 70085753
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-methylbenzoate
CID 143667163
ethyl 5-(3-ethoxycarbonyl-5-methylphenyl)-4-methyl-2-(2-methylphenyl)benzoate
CID 143189197
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
CID 117222454
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
methyl 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134634001
methyl 2-bromo-5-(2-methylphenyl)benzoate
CID 170794913
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
3-methoxycarbonyl-5-methylbenzoic acid
CID 7210836
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(2-methylphenyl)benzoate?
The IUPAC name of methyl 3-methyl-5-(2-methylphenyl)benzoate (CID 158969225) is methyl 3-methyl-5-(2-methylphenyl)benzoate.
What is the SMILES notation for methyl 3-methyl-5-(2-methylphenyl)benzoate?
The canonical SMILES for methyl 3-methyl-5-(2-methylphenyl)benzoate is COC(=O)c1cc(C)cc(-c2ccccc2C)c1.
What is the InChIKey of methyl 3-methyl-5-(2-methylphenyl)benzoate?
The InChIKey is DCUXRGMDNSCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-8-13(10-14(9-11)16(17)18-3)15-7-5-4-6-12(15)2/h4-10H,1-3H3.
What are the key properties of methyl 3-methyl-5-(2-methylphenyl)benzoate?
methyl 3-methyl-5-(2-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 3-methyl-5-(2-methylphenyl)benzoate is sourced from PubChem (CID 158969225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).