4-ethoxy-1-naphthalen-1-ylbutan-2-one

C16H18O2 — CID 61054445

IUPAC4-ethoxy-1-naphthalen-1-ylbutan-2-one
SMILESCCOCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-2-18-11-10-15(17)12-14-8-5-7-13-6-3-4-9-16(13)14/h3-9H,2,10-12H2,1H3
InChIKeyGEUBSFUBFXKZEC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.38
Rot. Bonds6

About 4-ethoxy-1-naphthalen-1-ylbutan-2-one

4-ethoxy-1-naphthalen-1-ylbutan-2-one (PubChem CID 61054445) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethoxy-1-naphthalen-1-ylbutan-2-one.

Molecular Properties

Compound Name4-ethoxy-1-naphthalen-1-ylbutan-2-one
PubChem CID61054445
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-ethoxy-1-naphthalen-1-ylbutan-2-one
SMILESCCOCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-2-18-11-10-15(17)12-14-8-5-7-13-6-3-4-9-16(13)14/h3-9H,2,10-12H2,1H3
InChIKeyGEUBSFUBFXKZEC-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylbutan-2-one
CID 4564544
1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-one
CID 105084973
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-yl-4-phenylsulfanylbutan-2-one
CID 175351953
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
CID 105084239
4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-naphthalen-1-ylbutan-2-one?
The IUPAC name of 4-ethoxy-1-naphthalen-1-ylbutan-2-one (CID 61054445) is 4-ethoxy-1-naphthalen-1-ylbutan-2-one.
What is the SMILES notation for 4-ethoxy-1-naphthalen-1-ylbutan-2-one?
The canonical SMILES for 4-ethoxy-1-naphthalen-1-ylbutan-2-one is CCOCCC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4-ethoxy-1-naphthalen-1-ylbutan-2-one?
The InChIKey is GEUBSFUBFXKZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-18-11-10-15(17)12-14-8-5-7-13-6-3-4-9-16(13)14/h3-9H,2,10-12H2,1H3.
What are the key properties of 4-ethoxy-1-naphthalen-1-ylbutan-2-one?
4-ethoxy-1-naphthalen-1-ylbutan-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-naphthalen-1-ylbutan-2-one is sourced from PubChem (CID 61054445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).