3-methyl-1-naphthalen-1-ylbutan-2-one

C15H16O — CID 12922161

IUPAC3-methyl-1-naphthalen-1-ylbutan-2-one
SMILESCC(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3
InChIKeyQDSVEANWUOGUNG-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.61
Rot. Bonds3

About 3-methyl-1-naphthalen-1-ylbutan-2-one

3-methyl-1-naphthalen-1-ylbutan-2-one (PubChem CID 12922161) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-ylbutan-2-one
PubChem CID12922161
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name3-methyl-1-naphthalen-1-ylbutan-2-one
SMILESCC(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3
InChIKeyQDSVEANWUOGUNG-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
CID 116564413
1-naphthalen-1-ylbutan-2-one
CID 4564544
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-1-ylbutan-2-one?
The IUPAC name of 3-methyl-1-naphthalen-1-ylbutan-2-one (CID 12922161) is 3-methyl-1-naphthalen-1-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-naphthalen-1-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-naphthalen-1-ylbutan-2-one is CC(C)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 3-methyl-1-naphthalen-1-ylbutan-2-one?
The InChIKey is QDSVEANWUOGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11(2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-1-ylbutan-2-one?
3-methyl-1-naphthalen-1-ylbutan-2-one has a molecular weight of 212.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-ylbutan-2-one is sourced from PubChem (CID 12922161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).