2-ethoxy-2-phenylethenone

C10H10O2 — CID 174331392

IUPAC2-ethoxy-2-phenylethenone
SMILESCCOC(=C=O)c1ccccc1
InChIInChI=1S/C10H10O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKeyGVCPRIVBKYSIIU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.90
Rot. Bonds3

About 2-ethoxy-2-phenylethenone

2-ethoxy-2-phenylethenone (PubChem CID 174331392) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-ethoxy-2-phenylethenone.

Molecular Properties

Compound Name2-ethoxy-2-phenylethenone
PubChem CID174331392
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-ethoxy-2-phenylethenone
SMILESCCOC(=C=O)c1ccccc1
InChIInChI=1S/C10H10O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKeyGVCPRIVBKYSIIU-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.90
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-methoxy-2-phenylethenone
CID 11819198
(2-oxo-1-phenylethenyl) hypochlorite
CID 86622261
CID 158970570
CID 158970570
diphenylmethanimine;ethyl acetate
CID 174383582
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl benzoate;toluene
CID 23150750
chloroethane;ethyl benzoate
CID 91175503
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenylethenone?
The IUPAC name of 2-ethoxy-2-phenylethenone (CID 174331392) is 2-ethoxy-2-phenylethenone.
What is the SMILES notation for 2-ethoxy-2-phenylethenone?
The canonical SMILES for 2-ethoxy-2-phenylethenone is CCOC(=C=O)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenylethenone?
The InChIKey is GVCPRIVBKYSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxy-2-phenylethenone?
2-ethoxy-2-phenylethenone has a molecular weight of 162.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenylethenone is sourced from PubChem (CID 174331392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).