5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one

C16H19FO — CID 144623961

IUPAC5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(CCCc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FO/c1-12-9-14(11-16(18)10-12)4-2-3-13-5-7-15(17)8-6-13/h5-8,10,14H,2-4,9,11H2,1H3
InChIKeyOVWROTGXSNKDMG-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.07
Rot. Bonds4

About 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one

5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one (PubChem CID 144623961) has the molecular formula C16H19FO and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one
PubChem CID144623961
Molecular FormulaC16H19FO
Molecular Weight246.33 g/mol
Exact Mass246.14
IUPAC Name5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(CCCc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FO/c1-12-9-14(11-16(18)10-12)4-2-3-13-5-7-15(17)8-6-13/h5-8,10,14H,2-4,9,11H2,1H3
InChIKeyOVWROTGXSNKDMG-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 149264652
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8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
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5-[4-(4-fluorophenyl)butyl]azepane-2-carbaldehyde
CID 137488217
CID 22913907
CID 22913907
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
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1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
CID 142033316
4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane
CID 123190517
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
1-fluoro-4-propylbenzene
CID 2737505
N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
CID 142032852

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one?
The IUPAC name of 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one (CID 144623961) is 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one is CC1=CC(=O)CC(CCCc2ccc(F)cc2)C1.
What is the InChIKey of 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one?
The InChIKey is OVWROTGXSNKDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-12-9-14(11-16(18)10-12)4-2-3-13-5-7-15(17)8-6-13/h5-8,10,14H,2-4,9,11H2,1H3.
What are the key properties of 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one?
5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one has a molecular weight of 246.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 144623961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).