2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone

C16H15FO2 — CID 116751792

IUPAC2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
SMILESCCOC(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-2-19-16(12-7-4-3-5-8-12)15(18)13-9-6-10-14(17)11-13/h3-11,16H,2H2,1H3
InChIKeyMUDBDDMYEICADW-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.79
Rot. Bonds5

About 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone

2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone (PubChem CID 116751792) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
PubChem CID116751792
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
SMILESCCOC(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-2-19-16(12-7-4-3-5-8-12)15(18)13-9-6-10-14(17)11-13/h3-11,16H,2H2,1H3
InChIKeyMUDBDDMYEICADW-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
CID 24787414
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone?
The IUPAC name of 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone (CID 116751792) is 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone.
What is the SMILES notation for 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone?
The canonical SMILES for 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone is CCOC(C(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone?
The InChIKey is MUDBDDMYEICADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-19-16(12-7-4-3-5-8-12)15(18)13-9-6-10-14(17)11-13/h3-11,16H,2H2,1H3.
What are the key properties of 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone?
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone has a molecular weight of 258.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone is sourced from PubChem (CID 116751792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).