phenyl 2-naphthalen-2-ylacetate

C18H14O2 — CID 824858

IUPACphenyl 2-naphthalen-2-ylacetate
SMILESO=C(Cc1ccc2ccccc2c1)Oc1ccccc1
InChIInChI=1S/C18H14O2/c19-18(20-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-12H,13H2
InChIKeyXELMFXOLCGLVGV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.99
Rot. Bonds3

About phenyl 2-naphthalen-2-ylacetate

phenyl 2-naphthalen-2-ylacetate (PubChem CID 824858) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namephenyl 2-naphthalen-2-ylacetate
PubChem CID824858
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Namephenyl 2-naphthalen-2-ylacetate
SMILESO=C(Cc1ccc2ccccc2c1)Oc1ccccc1
InChIInChI=1S/C18H14O2/c19-18(20-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-12H,13H2
InChIKeyXELMFXOLCGLVGV-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl 2-naphthalen-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl 2-naphthalen-2-ylacetate?
The IUPAC name of phenyl 2-naphthalen-2-ylacetate (CID 824858) is phenyl 2-naphthalen-2-ylacetate.
What is the SMILES notation for phenyl 2-naphthalen-2-ylacetate?
The canonical SMILES for phenyl 2-naphthalen-2-ylacetate is O=C(Cc1ccc2ccccc2c1)Oc1ccccc1.
What is the InChIKey of phenyl 2-naphthalen-2-ylacetate?
The InChIKey is XELMFXOLCGLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-18(20-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-12H,13H2.
What are the key properties of phenyl 2-naphthalen-2-ylacetate?
phenyl 2-naphthalen-2-ylacetate has a molecular weight of 262.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-naphthalen-2-ylacetate is sourced from PubChem (CID 824858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).