1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one

C14H19FO3 — CID 103024596

IUPAC1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)OC)c(F)c1
InChIInChI=1S/C14H19FO3/c1-14(2,18-4)8-7-13(16)11-6-5-10(17-3)9-12(11)15/h5-6,9H,7-8H2,1-4H3
InChIKeyPMYFFMWFFMMZKB-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.22
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one

1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one (PubChem CID 103024596) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
PubChem CID103024596
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)OC)c(F)c1
InChIInChI=1S/C14H19FO3/c1-14(2,18-4)8-7-13(16)11-6-5-10(17-3)9-12(11)15/h5-6,9H,7-8H2,1-4H3
InChIKeyPMYFFMWFFMMZKB-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 55157298
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2,5-dichlorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024686
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-one
CID 103023430
2-amino-1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 103397216
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one (CID 103024596) is 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one is COc1ccc(C(=O)CCC(C)(C)OC)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one?
The InChIKey is PMYFFMWFFMMZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-14(2,18-4)8-7-13(16)11-6-5-10(17-3)9-12(11)15/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one?
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one has a molecular weight of 254.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 103024596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).