1-(1-hexoxynaphthalen-2-yl)ethanone

C18H22O2 — CID 43474263

IUPAC1-(1-hexoxynaphthalen-2-yl)ethanone
SMILESCCCCCCOc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C18H22O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12H,3-5,8,13H2,1-2H3
InChIKeyWBLOBZOOBOENAI-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.00
Rot. Bonds7

About 1-(1-hexoxynaphthalen-2-yl)ethanone

1-(1-hexoxynaphthalen-2-yl)ethanone (PubChem CID 43474263) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(1-hexoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hexoxynaphthalen-2-yl)ethanone
PubChem CID43474263
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(1-hexoxynaphthalen-2-yl)ethanone
SMILESCCCCCCOc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C18H22O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12H,3-5,8,13H2,1-2H3
InChIKeyWBLOBZOOBOENAI-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-hexoxynaphthalen-2-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

1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
tetradecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232785
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
octadecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232786
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-hexoxynaphthalen-2-yl)ethanone (CID 43474263) is 1-(1-hexoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-hexoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-hexoxynaphthalen-2-yl)ethanone is CCCCCCOc1c(C(C)=O)ccc2ccccc12.
What is the InChIKey of 1-(1-hexoxynaphthalen-2-yl)ethanone?
The InChIKey is WBLOBZOOBOENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12H,3-5,8,13H2,1-2H3.
What are the key properties of 1-(1-hexoxynaphthalen-2-yl)ethanone?
1-(1-hexoxynaphthalen-2-yl)ethanone has a molecular weight of 270.37 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 43474263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).