(2,6-dimethylphenyl) 2-phenylacetate

C16H16O2 — CID 4037611

IUPAC(2,6-dimethylphenyl) 2-phenylacetate
SMILESCc1cccc(C)c1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H16O2/c1-12-7-6-8-13(2)16(12)18-15(17)11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKeyDDIPWIMNBAKQMJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.45
Rot. Bonds3

About (2,6-dimethylphenyl) 2-phenylacetate

(2,6-dimethylphenyl) 2-phenylacetate (PubChem CID 4037611) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2-phenylacetate
PubChem CID4037611
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2,6-dimethylphenyl) 2-phenylacetate
SMILESCc1cccc(C)c1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H16O2/c1-12-7-6-8-13(2)16(12)18-15(17)11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKeyDDIPWIMNBAKQMJ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-phenylacetate?
The IUPAC name of (2,6-dimethylphenyl) 2-phenylacetate (CID 4037611) is (2,6-dimethylphenyl) 2-phenylacetate.
What is the SMILES notation for (2,6-dimethylphenyl) 2-phenylacetate?
The canonical SMILES for (2,6-dimethylphenyl) 2-phenylacetate is Cc1cccc(C)c1OC(=O)Cc1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl) 2-phenylacetate?
The InChIKey is DDIPWIMNBAKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-7-6-8-13(2)16(12)18-15(17)11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl) 2-phenylacetate?
(2,6-dimethylphenyl) 2-phenylacetate has a molecular weight of 240.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2-phenylacetate is sourced from PubChem (CID 4037611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).