7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one

C23H25FO2 — CID 58660536

IUPAC7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)OCC(=O)C4)c(F)c2)CC1
InChIInChI=1S/C23H25FO2/c1-2-15-3-5-16(6-4-15)17-9-10-21(22(24)12-17)18-7-8-19-11-20(25)14-26-23(19)13-18/h7-10,12-13,15-16H,2-6,11,14H2,1H3
InChIKeyHWXLGAYGFAPUCL-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.68
Rot. Bonds3

About 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one

7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one (PubChem CID 58660536) has the molecular formula C23H25FO2 and a molecular weight of 352.45 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one.

Molecular Properties

Compound Name7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one
PubChem CID58660536
Molecular FormulaC23H25FO2
Molecular Weight352.45 g/mol
Exact Mass352.18
IUPAC Name7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)OCC(=O)C4)c(F)c2)CC1
InChIInChI=1S/C23H25FO2/c1-2-15-3-5-16(6-4-15)17-9-10-21(22(24)12-17)18-7-8-19-11-20(25)14-26-23(19)13-18/h7-10,12-13,15-16H,2-6,11,14H2,1H3
InChIKeyHWXLGAYGFAPUCL-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-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

7-[4-(4-propylcyclohexyl)cyclohexyl]-4H-chromen-3-one
CID 58660468
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-5-fluoro-3-(trifluoromethyl)-3,4-dihydro-1H-isochromene
CID 58660666
2-[3,5-difluoro-4-(1,1,1-trifluoropropan-2-yl)phenyl]-5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 89134784
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
3-(2-fluoroethyl)-7-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-1H-isochromene
CID 58660670
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
CID 23364832
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one?
The IUPAC name of 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one (CID 58660536) is 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one.
What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one?
The canonical SMILES for 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one is CCC1CCC(c2ccc(-c3ccc4c(c3)OCC(=O)C4)c(F)c2)CC1.
What is the InChIKey of 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one?
The InChIKey is HWXLGAYGFAPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO2/c1-2-15-3-5-16(6-4-15)17-9-10-21(22(24)12-17)18-7-8-19-11-20(25)14-26-23(19)13-18/h7-10,12-13,15-16H,2-6,11,14H2,1H3.
What are the key properties of 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one?
7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one has a molecular weight of 352.45 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-4H-chromen-3-one is sourced from PubChem (CID 58660536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).