1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one

C24H35FO2 — CID 58942520

IUPAC1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
SMILESCCCC1CCC(C2CCC(c3ccc(C(=O)CC)c(O)c3F)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22(26)4-2)24(27)23(20)25/h14-19,27H,3-13H2,1-2H3
InChIKeyJGIQZAATNZDLNW-UHFFFAOYSA-N
MW374.54 g/mol
LogP7.00
Rot. Bonds6

About 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one

1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one (PubChem CID 58942520) has the molecular formula C24H35FO2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
PubChem CID58942520
Molecular FormulaC24H35FO2
Molecular Weight374.54 g/mol
Exact Mass374.26
IUPAC Name1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
SMILESCCCC1CCC(C2CCC(c3ccc(C(=O)CC)c(O)c3F)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22(26)4-2)24(27)23(20)25/h14-19,27H,3-13H2,1-2H3
InChIKeyJGIQZAATNZDLNW-UHFFFAOYSA-N
XLogP7.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118287285
1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one
CID 58942432
1-[3-fluoro-2-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118283767
1-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331721
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[3-fluoro-4-(4-methylcyclohexyl)-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991209
1-[2-(difluoromethyl)-3-fluoro-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]phenyl]propan-1-one
CID 118287289
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
2-[3-chloro-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]oxirane
CID 89021617
1-[3-(difluoromethyl)-2-hydroxy-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]butan-1-one
CID 58942534
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(1,2,2,2-tetradeuterio-1-fluoroethyl)benzene
CID 142671416

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one?
The IUPAC name of 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one (CID 58942520) is 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one is CCCC1CCC(C2CCC(c3ccc(C(=O)CC)c(O)c3F)CC2)CC1.
What is the InChIKey of 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one?
The InChIKey is JGIQZAATNZDLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FO2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22(26)4-2)24(27)23(20)25/h14-19,27H,3-13H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one?
1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one has a molecular weight of 374.54 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one is sourced from PubChem (CID 58942520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).