2-phenylethyl benzoate

C15H14O2 — CID 7194

IUPAC2-phenylethyl benzoate
SMILESO=C(OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyOSORMYZMWHVFOZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.09
Rot. Bonds4

About 2-phenylethyl benzoate

2-phenylethyl benzoate (PubChem CID 7194) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenylethyl benzoate.

Molecular Properties

Compound Name2-phenylethyl benzoate
PubChem CID7194
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-phenylethyl benzoate
SMILESO=C(OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyOSORMYZMWHVFOZ-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl benzoate?
The IUPAC name of 2-phenylethyl benzoate (CID 7194) is 2-phenylethyl benzoate.
What is the SMILES notation for 2-phenylethyl benzoate?
The canonical SMILES for 2-phenylethyl benzoate is O=C(OCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylethyl benzoate?
The InChIKey is OSORMYZMWHVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2-phenylethyl benzoate?
2-phenylethyl benzoate has a molecular weight of 226.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl benzoate is sourced from PubChem (CID 7194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).