1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone

C16H16O2 — CID 43474269

IUPAC1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
SMILESC/C=C/COc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C16H16O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h3-10H,11H2,1-2H3/b4-3+
InChIKeyDCRIVNPOZWUPKX-ONEGZZNKSA-N
MW240.30 g/mol
LogP4.00
Rot. Bonds4

About 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone

1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone (PubChem CID 43474269) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
PubChem CID43474269
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
SMILESC/C=C/COc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C16H16O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h3-10H,11H2,1-2H3/b4-3+
InChIKeyDCRIVNPOZWUPKX-ONEGZZNKSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
[(E)-but-2-enyl] naphthalene-1-carboxylate
CID 15424069
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone (CID 43474269) is 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone is C/C=C/COc1c(C(C)=O)ccc2ccccc12.
What is the InChIKey of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone?
The InChIKey is DCRIVNPOZWUPKX-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h3-10H,11H2,1-2H3/b4-3+.
What are the key properties of 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone?
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone has a molecular weight of 240.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone is sourced from PubChem (CID 43474269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).