benzyl 2-hydroxy-2-phenylacetate

C15H14O3 — CID 13461

IUPACbenzyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKeyJFKWZVQEMSKSBU-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.46
Rot. Bonds4

About benzyl 2-hydroxy-2-phenylacetate

benzyl 2-hydroxy-2-phenylacetate (PubChem CID 13461) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is benzyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-2-phenylacetate
PubChem CID13461
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namebenzyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKeyJFKWZVQEMSKSBU-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-2-phenylacetate?
The IUPAC name of benzyl 2-hydroxy-2-phenylacetate (CID 13461) is benzyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for benzyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for benzyl 2-hydroxy-2-phenylacetate is O=C(OCc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of benzyl 2-hydroxy-2-phenylacetate?
The InChIKey is JFKWZVQEMSKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2.
What are the key properties of benzyl 2-hydroxy-2-phenylacetate?
benzyl 2-hydroxy-2-phenylacetate has a molecular weight of 242.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 13461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).