2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one

C16H19FO2 — CID 86191576

IUPAC2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
SMILESCc1cc(F)ccc1C(=O)CCC1CCCCC1=O
InChIInChI=1S/C16H19FO2/c1-11-10-13(17)7-8-14(11)16(19)9-6-12-4-2-3-5-15(12)18/h7-8,10,12H,2-6,9H2,1H3
InChIKeyMRDDGDSFXMOQDQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.86
Rot. Bonds4

About 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one

2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one (PubChem CID 86191576) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
PubChem CID86191576
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
SMILESCc1cc(F)ccc1C(=O)CCC1CCCCC1=O
InChIInChI=1S/C16H19FO2/c1-11-10-13(17)7-8-14(11)16(19)9-6-12-4-2-3-5-15(12)18/h7-8,10,12H,2-6,9H2,1H3
InChIKeyMRDDGDSFXMOQDQ-UHFFFAOYSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-(cyclohexen-1-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116659700
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 97032971
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one (CID 86191576) is 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one is Cc1cc(F)ccc1C(=O)CCC1CCCCC1=O.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one?
The InChIKey is MRDDGDSFXMOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-11-10-13(17)7-8-14(11)16(19)9-6-12-4-2-3-5-15(12)18/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one?
2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one has a molecular weight of 262.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one is sourced from PubChem (CID 86191576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).