1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one

C15H19FO2 — CID 114347374

IUPAC1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(F)cc1C)C1CC1
InChIInChI=1S/C15H19FO2/c1-3-18-15(11-4-5-11)14(17)9-12-6-7-13(16)8-10(12)2/h6-8,11,15H,3-5,9H2,1-2H3
InChIKeyWWMFIULKEMJQTH-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.06
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one

1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one (PubChem CID 114347374) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
PubChem CID114347374
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(F)cc1C)C1CC1
InChIInChI=1S/C15H19FO2/c1-3-18-15(11-4-5-11)14(17)9-12-6-7-13(16)8-10(12)2/h6-8,11,15H,3-5,9H2,1-2H3
InChIKeyWWMFIULKEMJQTH-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116709353
1-(4-fluoro-2-methylphenyl)-3-methoxypentan-2-one
CID 114347367
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
CID 116709249
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)butan-2-one
CID 103311604
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one (CID 114347374) is 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one is CCOC(C(=O)Cc1ccc(F)cc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is WWMFIULKEMJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-18-15(11-4-5-11)14(17)9-12-6-7-13(16)8-10(12)2/h6-8,11,15H,3-5,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 250.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 114347374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).