1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone

C25H31FO — CID 142331736

IUPAC1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C(C)=O)c(F)c3)cc2)CC1
InChIInChI=1S/C25H31FO/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-16-24(18(2)27)25(26)17-23/h11-17,19-20H,3-10H2,1-2H3
InChIKeyTZSMMSQBHGPHCG-UHFFFAOYSA-N
MW366.52 g/mol
LogP7.55
Rot. Bonds7

About 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone

1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone (PubChem CID 142331736) has the molecular formula C25H31FO and a molecular weight of 366.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
PubChem CID142331736
Molecular FormulaC25H31FO
Molecular Weight366.52 g/mol
Exact Mass366.24
IUPAC Name1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C(C)=O)c(F)c3)cc2)CC1
InChIInChI=1S/C25H31FO/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-16-24(18(2)27)25(26)17-23/h11-17,19-20H,3-10H2,1-2H3
InChIKeyTZSMMSQBHGPHCG-UHFFFAOYSA-N
XLogP7.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone 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-fluoro-4-(4-pentylcyclohexyl)benzoyl chloride
CID 54397331
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
CID 162030737
CID 162030737
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
4-(4-pentylcyclohexyl)-2-(3,4,5-trifluorophenyl)benzoic acid
CID 70257779
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl] thiocyanate
CID 174157015
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone (CID 142331736) is 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone is CCCCCC1CCC(c2ccc(-c3ccc(C(C)=O)c(F)c3)cc2)CC1.
What is the InChIKey of 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone?
The InChIKey is TZSMMSQBHGPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FO/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-16-24(18(2)27)25(26)17-23/h11-17,19-20H,3-10H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone?
1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone has a molecular weight of 366.52 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 142331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).