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

C16H18O2 — CID 105094445

IUPAC4-ethoxy-1-naphthalen-1-ylbutan-1-one
SMILESCCOCCCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-2-18-12-6-11-16(17)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3
InChIKeyNEJJLUBLXXUQJA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.84
Rot. Bonds6

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

4-ethoxy-1-naphthalen-1-ylbutan-1-one (PubChem CID 105094445) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethoxy-1-naphthalen-1-ylbutan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-naphthalen-1-ylbutan-1-one
PubChem CID105094445
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-ethoxy-1-naphthalen-1-ylbutan-1-one
SMILESCCOCCCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-2-18-12-6-11-16(17)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3
InChIKeyNEJJLUBLXXUQJA-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
CID 157326026
1-naphthalen-1-yldodecan-1-one
CID 3424169
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
4-ethoxy-1-[2-(trifluoromethyl)phenyl]butan-1-one
CID 105098073
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
1,8-dinaphthalen-1-yloctane-1,2,8-trione
CID 140639946
1-naphthalen-1-yl-3-phenoxypropan-1-one
CID 62717239
4-ethoxy-1-(6-methyl-2-pyridinyl)butan-1-one
CID 121013346
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
4-ethoxy-1-naphthalen-1-ylbutan-2-one
CID 61054445

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-naphthalen-1-ylbutan-1-one?
The IUPAC name of 4-ethoxy-1-naphthalen-1-ylbutan-1-one (CID 105094445) is 4-ethoxy-1-naphthalen-1-ylbutan-1-one.
What is the SMILES notation for 4-ethoxy-1-naphthalen-1-ylbutan-1-one?
The canonical SMILES for 4-ethoxy-1-naphthalen-1-ylbutan-1-one is CCOCCCC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-ethoxy-1-naphthalen-1-ylbutan-1-one?
The InChIKey is NEJJLUBLXXUQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-18-12-6-11-16(17)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3.
What are the key properties of 4-ethoxy-1-naphthalen-1-ylbutan-1-one?
4-ethoxy-1-naphthalen-1-ylbutan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.84, 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-1-one is sourced from PubChem (CID 105094445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).