1-phenylprop-2-enyloxidanium

C9H11O+ — CID 135026196

IUPAC1-phenylprop-2-enyloxidanium
SMILESC=CC([OH2+])c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/p+1
InChIKeyMHHJQVRGRPHIMR-UHFFFAOYSA-O
MW135.19 g/mol
LogP1.64
Rot. Bonds2

About 1-phenylprop-2-enyloxidanium

1-phenylprop-2-enyloxidanium (PubChem CID 135026196) has the molecular formula C9H11O+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 1-phenylprop-2-enyloxidanium.

Molecular Properties

Compound Name1-phenylprop-2-enyloxidanium
PubChem CID135026196
Molecular FormulaC9H11O+
Molecular Weight135.19 g/mol
Exact Mass135.08
IUPAC Name1-phenylprop-2-enyloxidanium
SMILESC=CC([OH2+])c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/p+1
InChIKeyMHHJQVRGRPHIMR-UHFFFAOYSA-O
XLogP1.64
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
benzene;1-phenylprop-2-en-1-ol
CID 174884403
CID 147982953
CID 147982953
1-iodoprop-2-enylbenzene
CID 21195039
1-chloroprop-2-enylbenzene
CID 11768772
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559
1,1-diphenylbut-3-en-2-ol
CID 88826241

Frequently Asked Questions

What is the IUPAC name of 1-phenylprop-2-enyloxidanium?
The IUPAC name of 1-phenylprop-2-enyloxidanium (CID 135026196) is 1-phenylprop-2-enyloxidanium.
What is the SMILES notation for 1-phenylprop-2-enyloxidanium?
The canonical SMILES for 1-phenylprop-2-enyloxidanium is C=CC([OH2+])c1ccccc1.
What is the InChIKey of 1-phenylprop-2-enyloxidanium?
The InChIKey is MHHJQVRGRPHIMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/p+1.
What are the key properties of 1-phenylprop-2-enyloxidanium?
1-phenylprop-2-enyloxidanium has a molecular weight of 135.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylprop-2-enyloxidanium is sourced from PubChem (CID 135026196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).