1-naphthalen-1-ylbutan-2-one

C14H14O — CID 4564544

IUPAC1-naphthalen-1-ylbutan-2-one
SMILESCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9H,2,10H2,1H3
InChIKeyJMWHXPREIMDJIW-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.36
Rot. Bonds3

About 1-naphthalen-1-ylbutan-2-one

1-naphthalen-1-ylbutan-2-one (PubChem CID 4564544) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-naphthalen-1-ylbutan-2-one.

Molecular Properties

Compound Name1-naphthalen-1-ylbutan-2-one
PubChem CID4564544
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-naphthalen-1-ylbutan-2-one
SMILESCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9H,2,10H2,1H3
InChIKeyJMWHXPREIMDJIW-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
4-ethoxy-1-naphthalen-1-ylbutan-2-one
CID 61054445
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
azane;1-ethylnaphthalene
CID 19048185
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
naphthalen-1-ylmethyl propanoate
CID 13262702
sodium;1-ethylnaphthalene;hydride
CID 174300793

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylbutan-2-one?
The IUPAC name of 1-naphthalen-1-ylbutan-2-one (CID 4564544) is 1-naphthalen-1-ylbutan-2-one.
What is the SMILES notation for 1-naphthalen-1-ylbutan-2-one?
The canonical SMILES for 1-naphthalen-1-ylbutan-2-one is CCC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylbutan-2-one?
The InChIKey is JMWHXPREIMDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9H,2,10H2,1H3.
What are the key properties of 1-naphthalen-1-ylbutan-2-one?
1-naphthalen-1-ylbutan-2-one has a molecular weight of 198.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylbutan-2-one is sourced from PubChem (CID 4564544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).