1-(5-methylnaphthalen-1-yl)ethanone

C13H12O — CID 15563480

IUPAC1-(5-methylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1cccc2c(C)cccc12
InChIInChI=1S/C13H12O/c1-9-5-3-8-13-11(9)6-4-7-12(13)10(2)14/h3-8H,1-2H3
InChIKeyPIDLUOUGMMSUJN-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.35
Rot. Bonds1

About 1-(5-methylnaphthalen-1-yl)ethanone

1-(5-methylnaphthalen-1-yl)ethanone (PubChem CID 15563480) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(5-methylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylnaphthalen-1-yl)ethanone
PubChem CID15563480
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name1-(5-methylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1cccc2c(C)cccc12
InChIInChI=1S/C13H12O/c1-9-5-3-8-13-11(9)6-4-7-12(13)10(2)14/h3-8H,1-2H3
InChIKeyPIDLUOUGMMSUJN-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-methylnaphthalen-1-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

mercury(2+);bis(5-methylnaphthalene-1-carboxylate)
CID 22604523
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
1,5-dimethylnaphthalene
CID 162159355
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
tert-butyl 5-acetylnaphthalene-1-carboxylate
CID 155204418
1-(7-methyl-1-benzofuran-3-yl)ethanone
CID 53403060
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
1-[2-(chloroamino)-3-methylphenyl]ethanone
CID 141131299

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylnaphthalen-1-yl)ethanone?
The IUPAC name of 1-(5-methylnaphthalen-1-yl)ethanone (CID 15563480) is 1-(5-methylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(5-methylnaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(5-methylnaphthalen-1-yl)ethanone is CC(=O)c1cccc2c(C)cccc12.
What is the InChIKey of 1-(5-methylnaphthalen-1-yl)ethanone?
The InChIKey is PIDLUOUGMMSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-9-5-3-8-13-11(9)6-4-7-12(13)10(2)14/h3-8H,1-2H3.
What are the key properties of 1-(5-methylnaphthalen-1-yl)ethanone?
1-(5-methylnaphthalen-1-yl)ethanone has a molecular weight of 184.24 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 15563480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).