1-(4-benzoylnaphthalen-2-yl)ethanone

C19H14O2 — CID 11311862

IUPAC1-(4-benzoylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)c2ccccc2c1
InChIInChI=1S/C19H14O2/c1-13(20)16-11-15-9-5-6-10-17(15)18(12-16)19(21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyOPWNYJZJYMQMJB-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.27
Rot. Bonds3

About 1-(4-benzoylnaphthalen-2-yl)ethanone

1-(4-benzoylnaphthalen-2-yl)ethanone (PubChem CID 11311862) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-benzoylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzoylnaphthalen-2-yl)ethanone
PubChem CID11311862
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name1-(4-benzoylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)c2ccccc2c1
InChIInChI=1S/C19H14O2/c1-13(20)16-11-15-9-5-6-10-17(15)18(12-16)19(21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyOPWNYJZJYMQMJB-UHFFFAOYSA-N
XLogP4.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzoylnaphthalen-2-yl)ethanone 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 1-(4-benzoylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(4-benzoylnaphthalen-2-yl)ethanone (CID 11311862) is 1-(4-benzoylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzoylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(4-benzoylnaphthalen-2-yl)ethanone is CC(=O)c1cc(C(=O)c2ccccc2)c2ccccc2c1.
What is the InChIKey of 1-(4-benzoylnaphthalen-2-yl)ethanone?
The InChIKey is OPWNYJZJYMQMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-13(20)16-11-15-9-5-6-10-17(15)18(12-16)19(21)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 1-(4-benzoylnaphthalen-2-yl)ethanone?
1-(4-benzoylnaphthalen-2-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 11311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).