1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one

C15H21FO2 — CID 83225273

IUPAC1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(F)cc1C
InChIInChI=1S/C15H21FO2/c1-4-6-14(17)15(18-9-5-2)13-8-7-12(16)10-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyNYFWKUGIFWDGQH-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one

1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one (PubChem CID 83225273) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one
PubChem CID83225273
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(F)cc1C
InChIInChI=1S/C15H21FO2/c1-4-6-14(17)15(18-9-5-2)13-8-7-12(16)10-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyNYFWKUGIFWDGQH-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-1-(1-propoxyethyl)benzene
CID 67800924
1-(2,6-difluorophenyl)-1-propoxypentan-2-one
CID 83226006
ethyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]pentanoate
CID 83043681
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]butanoic acid
CID 62398019
1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457195
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
1-(3-fluorophenyl)-1-propoxypropan-2-one
CID 83226536
2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one (CID 83225273) is 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one is CCCOC(C(=O)CCC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one?
The InChIKey is NYFWKUGIFWDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-4-6-14(17)15(18-9-5-2)13-8-7-12(16)10-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one?
1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one has a molecular weight of 252.33 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one is sourced from PubChem (CID 83225273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).