1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one

C15H21FO3 — CID 83225657

IUPAC1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FO3/c1-4-6-13(17)15(19-9-5-2)11-7-8-14(18-3)12(16)10-11/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyXYOBMTLJQIDPJW-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.67
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one

1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one (PubChem CID 83225657) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
PubChem CID83225657
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21FO3/c1-4-6-13(17)15(19-9-5-2)11-7-8-14(18-3)12(16)10-11/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyXYOBMTLJQIDPJW-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one
CID 83226465
1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
1-(3-bromo-4-fluorophenyl)-1-propoxybutan-2-one
CID 83225505
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-(3-fluoro-4-methoxyphenyl)-3-oxopentanenitrile
CID 82114447
1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one
CID 83225273

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one (CID 83225657) is 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one is CCCOC(C(=O)CCC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one?
The InChIKey is XYOBMTLJQIDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-4-6-13(17)15(19-9-5-2)11-7-8-14(18-3)12(16)10-11/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one?
1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one has a molecular weight of 268.33 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one is sourced from PubChem (CID 83225657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).