1-(1-but-2-ynoxynaphthalen-2-yl)ethanone

C16H14O2 — CID 62312338

IUPAC1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
SMILESCC#CCOc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C16H14O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h5-10H,11H2,1-2H3
InChIKeyXWHVACPGTUQNOX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.44
Rot. Bonds3

About 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone

1-(1-but-2-ynoxynaphthalen-2-yl)ethanone (PubChem CID 62312338) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
PubChem CID62312338
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
SMILESCC#CCOc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C16H14O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h5-10H,11H2,1-2H3
InChIKeyXWHVACPGTUQNOX-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
CID 54941657

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone (CID 62312338) is 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone is CC#CCOc1c(C(C)=O)ccc2ccccc12.
What is the InChIKey of 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone?
The InChIKey is XWHVACPGTUQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h5-10H,11H2,1-2H3.
What are the key properties of 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone?
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-ynoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 62312338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).