1-(6-tert-butylnaphthalen-2-yl)ethanone

C16H18O — CID 59199741

IUPAC1-(6-tert-butylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C16H18O/c1-11(17)12-5-6-14-10-15(16(2,3)4)8-7-13(14)9-12/h5-10H,1-4H3
InChIKeyPQPDGQJCLZLGHR-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.34
Rot. Bonds1

About 1-(6-tert-butylnaphthalen-2-yl)ethanone

1-(6-tert-butylnaphthalen-2-yl)ethanone (PubChem CID 59199741) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(6-tert-butylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-tert-butylnaphthalen-2-yl)ethanone
PubChem CID59199741
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-(6-tert-butylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C16H18O/c1-11(17)12-5-6-14-10-15(16(2,3)4)8-7-13(14)9-12/h5-10H,1-4H3
InChIKeyPQPDGQJCLZLGHR-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-tert-butylnaphthalen-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

Related Compounds

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
2,6-ditert-butylanthracene
CID 15740416
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
1-[6-(2-hydroxyethylamino)naphthalen-2-yl]ethanone
CID 71475376
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
CID 22152811
1-[3-(2-acetyl-5-tert-butylphenoxy)phenyl]ethanone
CID 90463690

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)ethanone (CID 59199741) is 1-(6-tert-butylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-tert-butylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-tert-butylnaphthalen-2-yl)ethanone is CC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of 1-(6-tert-butylnaphthalen-2-yl)ethanone?
The InChIKey is PQPDGQJCLZLGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11(17)12-5-6-14-10-15(16(2,3)4)8-7-13(14)9-12/h5-10H,1-4H3.
What are the key properties of 1-(6-tert-butylnaphthalen-2-yl)ethanone?
1-(6-tert-butylnaphthalen-2-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 59199741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).