2-phenylethyl 2-phenylacetate

C16H16O2 — CID 7601

IUPAC2-phenylethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyZOZIRNMDEZKZHM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.02
Rot. Bonds5

About 2-phenylethyl 2-phenylacetate

2-phenylethyl 2-phenylacetate (PubChem CID 7601) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-phenylethyl 2-phenylacetate.

Molecular Properties

Compound Name2-phenylethyl 2-phenylacetate
PubChem CID7601
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-phenylethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyZOZIRNMDEZKZHM-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetic Acid
CID 999
Felbinac
CID 3332
2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl Benzoate
CID 7194
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
alpha-Naphthaleneacetic acid, ethyl ester
CID 62428

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-phenylacetate?
The IUPAC name of 2-phenylethyl 2-phenylacetate (CID 7601) is 2-phenylethyl 2-phenylacetate.
What is the SMILES notation for 2-phenylethyl 2-phenylacetate?
The canonical SMILES for 2-phenylethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-phenylacetate?
The InChIKey is ZOZIRNMDEZKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 2-phenylethyl 2-phenylacetate?
2-phenylethyl 2-phenylacetate has a molecular weight of 240.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-phenylacetate is sourced from PubChem (CID 7601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).