1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone

C16H18O2 — CID 43388547

IUPAC1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCC(C)C
InChIInChI=1S/C16H18O2/c1-11(2)10-18-16-14(12(3)17)9-8-13-6-4-5-7-15(13)16/h4-9,11H,10H2,1-3H3
InChIKeyRTQGYEZVFSSRET-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.08
Rot. Bonds4

About 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone

1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone (PubChem CID 43388547) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
PubChem CID43388547
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCC(C)C
InChIInChI=1S/C16H18O2/c1-11(2)10-18-16-14(12(3)17)9-8-13-6-4-5-7-15(13)16/h4-9,11H,10H2,1-3H3
InChIKeyRTQGYEZVFSSRET-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
CID 54941657
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone
CID 82866723

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone (CID 43388547) is 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCC(C)C.
What is the InChIKey of 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone?
The InChIKey is RTQGYEZVFSSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(2)10-18-16-14(12(3)17)9-8-13-6-4-5-7-15(13)16/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone?
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 43388547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).