methyl 2-[2-(2-methylphenyl)ethyl]benzoate

C17H18O2 — CID 118040129

IUPACmethyl 2-[2-(2-methylphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccccc1CCc1ccccc1C
InChIInChI=1S/C17H18O2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)17(18)19-2/h3-10H,11-12H2,1-2H3
InChIKeyWMDMAHBSVMXMEU-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.57
Rot. Bonds4

About methyl 2-[2-(2-methylphenyl)ethyl]benzoate

methyl 2-[2-(2-methylphenyl)ethyl]benzoate (PubChem CID 118040129) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-[2-(2-methylphenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methylphenyl)ethyl]benzoate
PubChem CID118040129
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-[2-(2-methylphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccccc1CCc1ccccc1C
InChIInChI=1S/C17H18O2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)17(18)19-2/h3-10H,11-12H2,1-2H3
InChIKeyWMDMAHBSVMXMEU-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-phenylethyl)benzoate
CID 59701000
methyl 2-[5-(2-methoxycarbonylphenyl)-3-oxopentyl]benzoate
CID 19922194
methane;methyl 2-propylbenzoate
CID 167647144
methyl 2-(3-oxobutyl)benzoate
CID 3237420
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
methyl 2-[bis(2-methylphenyl)phosphanylmethyl]benzoate
CID 18962660
methyl 3-amino-2-[2-(2-methylphenyl)ethylamino]benzoate
CID 115935289
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methylphenyl)ethyl]benzoate?
The IUPAC name of methyl 2-[2-(2-methylphenyl)ethyl]benzoate (CID 118040129) is methyl 2-[2-(2-methylphenyl)ethyl]benzoate.
What is the SMILES notation for methyl 2-[2-(2-methylphenyl)ethyl]benzoate?
The canonical SMILES for methyl 2-[2-(2-methylphenyl)ethyl]benzoate is COC(=O)c1ccccc1CCc1ccccc1C.
What is the InChIKey of methyl 2-[2-(2-methylphenyl)ethyl]benzoate?
The InChIKey is WMDMAHBSVMXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)17(18)19-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methylphenyl)ethyl]benzoate?
methyl 2-[2-(2-methylphenyl)ethyl]benzoate has a molecular weight of 254.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methylphenyl)ethyl]benzoate is sourced from PubChem (CID 118040129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).