1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone

C14H14O2 — CID 102141437

IUPAC1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#CC2CCCO2)cc1
InChIInChI=1S/C14H14O2/c1-11(15)13-7-4-12(5-8-13)6-9-14-3-2-10-16-14/h4-5,7-8,14H,2-3,10H2,1H3
InChIKeyZAYHVEINNDZDJO-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.42
Rot. Bonds1

About 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone

1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone (PubChem CID 102141437) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
PubChem CID102141437
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C#CC2CCCO2)cc1
InChIInChI=1S/C14H14O2/c1-11(15)13-7-4-12(5-8-13)6-9-14-3-2-10-16-14/h4-5,7-8,14H,2-3,10H2,1H3
InChIKeyZAYHVEINNDZDJO-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.42
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-[4-[2-(oxiran-2-yl)ethynyl]phenyl]ethanone
CID 164665099
(2S)-2-[2-(4-chlorophenyl)ethynyl]oxolane
CID 125483807
2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
[(2S,3S)-2-(2-phenylethynyl)oxan-3-yl] acetate
CID 10900866
ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane
CID 89242142
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214
1-[4-[2-(6-fluorocyclohexen-1-yl)ethynyl]phenyl]ethanone
CID 166960702
ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
CID 164927006
1-[4-[2-[4-(4-methylphenyl)phenyl]ethynyl]phenyl]ethanone
CID 18738024
1-(4-cyclohexylsulfanylphenyl)ethanone
CID 60885973
1-[4-(4-bromobut-1-ynyl)phenyl]ethanone
CID 170465992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone (CID 102141437) is 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone is CC(=O)c1ccc(C#CC2CCCO2)cc1.
What is the InChIKey of 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone?
The InChIKey is ZAYHVEINNDZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(15)13-7-4-12(5-8-13)6-9-14-3-2-10-16-14/h4-5,7-8,14H,2-3,10H2,1H3.
What are the key properties of 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone?
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone has a molecular weight of 214.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone is sourced from PubChem (CID 102141437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).