2-methoxy-2-phenylethenone

C9H8O2 — CID 11819198

IUPAC2-methoxy-2-phenylethenone
SMILESCOC(=C=O)c1ccccc1
InChIInChI=1S/C9H8O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVVUAPUBBKCVIKL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.51
Rot. Bonds2

About 2-methoxy-2-phenylethenone

2-methoxy-2-phenylethenone (PubChem CID 11819198) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methoxy-2-phenylethenone.

Molecular Properties

Compound Name2-methoxy-2-phenylethenone
PubChem CID11819198
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-methoxy-2-phenylethenone
SMILESCOC(=C=O)c1ccccc1
InChIInChI=1S/C9H8O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVVUAPUBBKCVIKL-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1-phenylethenyl) hypochlorite
CID 86622261
2-ethoxy-2-phenylethenone
CID 174331392
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ethane;methoxymethane;methyl benzoate
CID 90999424
methyl (2R)-2-cyano-3-oxo-3-phenylpropanoate
CID 98050501
carbanide;ethane;2-phenylprop-1-en-1-one;yttrium
CID 157232453
[methoxy(phenyl)methylidene]manganese
CID 134898444
methyl (2S)-1-[(2-oxo-1-phenylethenoxy)sulfamoyl]pyrrolidine-2-carboxylate
CID 176527311

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylethenone?
The IUPAC name of 2-methoxy-2-phenylethenone (CID 11819198) is 2-methoxy-2-phenylethenone.
What is the SMILES notation for 2-methoxy-2-phenylethenone?
The canonical SMILES for 2-methoxy-2-phenylethenone is COC(=C=O)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenylethenone?
The InChIKey is VVUAPUBBKCVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2-methoxy-2-phenylethenone?
2-methoxy-2-phenylethenone has a molecular weight of 148.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylethenone is sourced from PubChem (CID 11819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).