1-(5-fluoro-2-methylphenyl)-2-propoxyethanone

C12H15FO2 — CID 62791964

IUPAC1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H15FO2/c1-3-6-15-8-12(14)11-7-10(13)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3
InChIKeySDJJHSAHCJZRAG-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.74
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone

1-(5-fluoro-2-methylphenyl)-2-propoxyethanone (PubChem CID 62791964) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
PubChem CID62791964
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H15FO2/c1-3-6-15-8-12(14)11-7-10(13)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3
InChIKeySDJJHSAHCJZRAG-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
3-butoxy-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 115002060
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
CID 65313550
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514948

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone (CID 62791964) is 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone is CCCOCC(=O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone?
The InChIKey is SDJJHSAHCJZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-6-15-8-12(14)11-7-10(13)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone?
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone has a molecular weight of 210.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-propoxyethanone is sourced from PubChem (CID 62791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).