1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane

C16H25FO3 — CID 160891216

IUPAC1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
SMILESC.C.COC(CCC(=O)c1ccc(F)cc1)CC(C)=O
InChIInChI=1S/C14H17FO3.2CH4/c1-10(16)9-13(18-2)7-8-14(17)11-3-5-12(15)6-4-11;;/h3-6,13H,7-9H2,1-2H3;2*1H4
InChIKeySOHHMBQEOFSXTC-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.05
Rot. Bonds7

About 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane

1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane (PubChem CID 160891216) has the molecular formula C16H25FO3 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
PubChem CID160891216
Molecular FormulaC16H25FO3
Molecular Weight284.37 g/mol
Exact Mass284.18
IUPAC Name1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
SMILESC.C.COC(CCC(=O)c1ccc(F)cc1)CC(C)=O
InChIInChI=1S/C14H17FO3.2CH4/c1-10(16)9-13(18-2)7-8-14(17)11-3-5-12(15)6-4-11;;/h3-6,13H,7-9H2,1-2H3;2*1H4
InChIKeySOHHMBQEOFSXTC-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl benzoylacetate
CID 7170
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
Ethyl 2-benzoylbutanoate
CID 319779
Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate
CID 2758844
5-Methoxy-4'-(trifluoromethyl)valerophenone
CID 527103
2-(5-Hexyldioxolan-3-yl)-1-phenylethanone
CID 155155993
Ethyl 2-benzoyloctadecanoate
CID 274320
Ethyl 2-acetyl-4-oxo-4-phenylbutanoate
CID 312893
Methyl 4-dodecylbenzoylacetate
CID 4437317
Ethyl 4-oxo-4-phenylbutyrate
CID 80451
Methyl 4-fluorobenzoylacetate
CID 579425
Ethyl 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 4164642

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane (CID 160891216) is 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane is C.C.COC(CCC(=O)c1ccc(F)cc1)CC(C)=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane?
The InChIKey is SOHHMBQEOFSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3.2CH4/c1-10(16)9-13(18-2)7-8-14(17)11-3-5-12(15)6-4-11;;/h3-6,13H,7-9H2,1-2H3;2*1H4.
What are the key properties of 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane?
1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane has a molecular weight of 284.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane is sourced from PubChem (CID 160891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).