1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone

C25H35FO — CID 118283710

IUPAC1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
SMILESCCCC1CCC(C2CC=C(CC(=O)c3ccc(C)c(F)c3C)CC2)CC1
InChIInChI=1S/C25H35FO/c1-4-5-19-7-11-21(12-8-19)22-13-9-20(10-14-22)16-24(27)23-15-6-17(2)25(26)18(23)3/h6,9,15,19,21-22H,4-5,7-8,10-14,16H2,1-3H3
InChIKeyPCKJZSWRBGGPON-UHFFFAOYSA-N
MW370.55 g/mol
LogP7.35
Rot. Bonds6

About 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone

1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone (PubChem CID 118283710) has the molecular formula C25H35FO and a molecular weight of 370.55 g/mol. Its IUPAC name is 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
PubChem CID118283710
Molecular FormulaC25H35FO
Molecular Weight370.55 g/mol
Exact Mass370.27
IUPAC Name1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
SMILESCCCC1CCC(C2CC=C(CC(=O)c3ccc(C)c(F)c3C)CC2)CC1
InChIInChI=1S/C25H35FO/c1-4-5-19-7-11-21(12-8-19)22-13-9-20(10-14-22)16-24(27)23-15-6-17(2)25(26)18(23)3/h6,9,15,19,21-22H,4-5,7-8,10-14,16H2,1-3H3
InChIKeyPCKJZSWRBGGPON-UHFFFAOYSA-N
XLogP7.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-3-fluoro-2-methylphenyl)-2-[5-(4-propylcyclohexyl)oxan-2-yl]ethanone
CID 118283724
1-[3-fluoro-2-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]-2-(4-propylcyclohexyl)ethanone
CID 118283761
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
CID 21464605
2-(4-butyl-3-fluorophenyl)-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
CID 57304904
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 22876109
1-[4-[(4-ethylcyclohexyl)methoxy]-3-fluoro-2-methylphenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]butan-1-one
CID 118283756
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-[3-fluoro-2-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118283767
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[2-(difluoromethyl)-3-fluoro-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]phenyl]propan-1-one
CID 118287289

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone (CID 118283710) is 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone is CCCC1CCC(C2CC=C(CC(=O)c3ccc(C)c(F)c3C)CC2)CC1.
What is the InChIKey of 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone?
The InChIKey is PCKJZSWRBGGPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FO/c1-4-5-19-7-11-21(12-8-19)22-13-9-20(10-14-22)16-24(27)23-15-6-17(2)25(26)18(23)3/h6,9,15,19,21-22H,4-5,7-8,10-14,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone?
1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone has a molecular weight of 370.55 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 118283710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).