1-ethenoxyprop-2-ynylbenzene

C11H10O — CID 71418172

IUPAC1-ethenoxyprop-2-ynylbenzene
SMILESC#CC(OC=C)c1ccccc1
InChIInChI=1S/C11H10O/c1-3-11(12-4-2)10-8-6-5-7-9-10/h1,4-9,11H,2H2
InChIKeyAOHZDVNDOWWKNR-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.52
Rot. Bonds3

About 1-ethenoxyprop-2-ynylbenzene

1-ethenoxyprop-2-ynylbenzene (PubChem CID 71418172) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-ethenoxyprop-2-ynylbenzene.

Molecular Properties

Compound Name1-ethenoxyprop-2-ynylbenzene
PubChem CID71418172
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-ethenoxyprop-2-ynylbenzene
SMILESC#CC(OC=C)c1ccccc1
InChIInChI=1S/C11H10O/c1-3-11(12-4-2)10-8-6-5-7-9-10/h1,4-9,11H,2H2
InChIKeyAOHZDVNDOWWKNR-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[ethenoxy(phenyl)methyl]benzene
CID 11401563
[chloro(ethenoxy)methyl]benzene
CID 175176601
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
1-phenylprop-2-ynyl methanesulfinate
CID 11805600
[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
CID 71389166
2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
CID 174922724
1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
CID 135072184
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
4-[(1S)-1-phenylprop-2-ynoxy]butane-1,3-diol
CID 174922718
(2R)-2-phenylbut-3-enenitrile
CID 92980223
CID 147982953
CID 147982953
1-bromoprop-2-ynylbenzene
CID 14359223

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyprop-2-ynylbenzene?
The IUPAC name of 1-ethenoxyprop-2-ynylbenzene (CID 71418172) is 1-ethenoxyprop-2-ynylbenzene.
What is the SMILES notation for 1-ethenoxyprop-2-ynylbenzene?
The canonical SMILES for 1-ethenoxyprop-2-ynylbenzene is C#CC(OC=C)c1ccccc1.
What is the InChIKey of 1-ethenoxyprop-2-ynylbenzene?
The InChIKey is AOHZDVNDOWWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-3-11(12-4-2)10-8-6-5-7-9-10/h1,4-9,11H,2H2.
What are the key properties of 1-ethenoxyprop-2-ynylbenzene?
1-ethenoxyprop-2-ynylbenzene has a molecular weight of 158.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyprop-2-ynylbenzene is sourced from PubChem (CID 71418172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).