methyl 2-(2-phenylethyl)benzoate

C16H16O2 — CID 59701000

IUPACmethyl 2-(2-phenylethyl)benzoate
SMILESCOC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C16H16O2/c1-18-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyIYHWVFNWCXRGBE-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-(2-phenylethyl)benzoate

methyl 2-(2-phenylethyl)benzoate (PubChem CID 59701000) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethyl)benzoate
PubChem CID59701000
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-(2-phenylethyl)benzoate
SMILESCOC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C16H16O2/c1-18-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyIYHWVFNWCXRGBE-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 5-amino-2-(2-phenylethyl)benzoate
CID 22321866
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-(3-oxo-3-phenylpropyl)benzoate
CID 122221957
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18275544
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279
methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
CID 101211174
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethyl)benzoate?
The IUPAC name of methyl 2-(2-phenylethyl)benzoate (CID 59701000) is methyl 2-(2-phenylethyl)benzoate.
What is the SMILES notation for methyl 2-(2-phenylethyl)benzoate?
The canonical SMILES for methyl 2-(2-phenylethyl)benzoate is COC(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of methyl 2-(2-phenylethyl)benzoate?
The InChIKey is IYHWVFNWCXRGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-18-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-(2-phenylethyl)benzoate?
methyl 2-(2-phenylethyl)benzoate has a molecular weight of 240.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 59701000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).