1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one

C14H17FO2 — CID 114347373

IUPAC1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1ccc(F)cc1C)C1CC1
InChIInChI=1S/C14H17FO2/c1-9-7-12(15)6-5-11(9)8-13(16)14(17-2)10-3-4-10/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyOUDHNZTVTQUKEH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.67
Rot. Bonds5

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

1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one (PubChem CID 114347373) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
PubChem CID114347373
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1ccc(F)cc1C)C1CC1
InChIInChI=1S/C14H17FO2/c1-9-7-12(15)6-5-11(9)8-13(16)14(17-2)10-3-4-10/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyOUDHNZTVTQUKEH-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one (CID 114347373) is 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one is COC(C(=O)Cc1ccc(F)cc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one?
The InChIKey is OUDHNZTVTQUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9-7-12(15)6-5-11(9)8-13(16)14(17-2)10-3-4-10/h5-7,10,14H,3-4,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one?
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 114347373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).