(2-methylphenyl) 2-phenylacetate

C15H14O2 — CID 530818

IUPAC(2-methylphenyl) 2-phenylacetate
SMILESCc1ccccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyVYXPPOCLVAOUNF-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.14
Rot. Bonds3

About (2-methylphenyl) 2-phenylacetate

(2-methylphenyl) 2-phenylacetate (PubChem CID 530818) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2-methylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-phenylacetate
PubChem CID530818
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2-methylphenyl) 2-phenylacetate
SMILESCc1ccccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyVYXPPOCLVAOUNF-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.14
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-methylphenyl) 2-phenylacetate?
The IUPAC name of (2-methylphenyl) 2-phenylacetate (CID 530818) is (2-methylphenyl) 2-phenylacetate.
What is the SMILES notation for (2-methylphenyl) 2-phenylacetate?
The canonical SMILES for (2-methylphenyl) 2-phenylacetate is Cc1ccccc1OC(=O)Cc1ccccc1.
What is the InChIKey of (2-methylphenyl) 2-phenylacetate?
The InChIKey is VYXPPOCLVAOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)17-15(16)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of (2-methylphenyl) 2-phenylacetate?
(2-methylphenyl) 2-phenylacetate has a molecular weight of 226.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-phenylacetate is sourced from PubChem (CID 530818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).