2-phenylethenyl 2-phenylacetate

C16H14O2 — CID 75576890

IUPAC2-phenylethenyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C16H14O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyOQIDJPPRRLRDSN-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.44
Rot. Bonds4

About 2-phenylethenyl 2-phenylacetate

2-phenylethenyl 2-phenylacetate (PubChem CID 75576890) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenylethenyl 2-phenylacetate.

Molecular Properties

Compound Name2-phenylethenyl 2-phenylacetate
PubChem CID75576890
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-phenylethenyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C16H14O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyOQIDJPPRRLRDSN-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl 2-phenylacetate?
The IUPAC name of 2-phenylethenyl 2-phenylacetate (CID 75576890) is 2-phenylethenyl 2-phenylacetate.
What is the SMILES notation for 2-phenylethenyl 2-phenylacetate?
The canonical SMILES for 2-phenylethenyl 2-phenylacetate is O=C(Cc1ccccc1)OC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl 2-phenylacetate?
The InChIKey is OQIDJPPRRLRDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-12H,13H2.
What are the key properties of 2-phenylethenyl 2-phenylacetate?
2-phenylethenyl 2-phenylacetate has a molecular weight of 238.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl 2-phenylacetate is sourced from PubChem (CID 75576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).