1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one

C24H36O3 — CID 58942424

IUPAC1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(C2CCC(C3CCC(CCC)CC3)CO2)cc1O
InChIInChI=1S/C24H36O3/c1-3-5-17-7-9-18(10-8-17)20-12-14-24(27-16-20)19-11-13-21(23(26)15-19)22(25)6-4-2/h11,13,15,17-18,20,24,26H,3-10,12,14,16H2,1-2H3
InChIKeyDZRNCKZEPCRINF-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.45
Rot. Bonds7

About 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one

1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one (PubChem CID 58942424) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one
PubChem CID58942424
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(C2CCC(C3CCC(CCC)CC3)CO2)cc1O
InChIInChI=1S/C24H36O3/c1-3-5-17-7-9-18(10-8-17)20-12-14-24(27-16-20)19-11-13-21(23(26)15-19)22(25)6-4-2/h11,13,15,17-18,20,24,26H,3-10,12,14,16H2,1-2H3
InChIKeyDZRNCKZEPCRINF-UHFFFAOYSA-N
XLogP6.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[difluoro-[4-[4-(5-propyloxan-2-yl)cyclohexyl]cyclohexyl]methoxy]-2-hydroxyphenyl]propan-1-one
CID 58942461
1-(4-ethoxy-3-fluoro-2-methylphenyl)-2-[5-(4-propylcyclohexyl)oxan-2-yl]ethanone
CID 118283724
2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
CID 58620441
1-[2-hydroxy-4-(4-methylcyclohexyl)phenyl]propan-1-one
CID 70870218
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
CID 58620567
1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
CID 58942520
[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexyl] 2-fluoro-4-(oxiran-2-yl)benzoate
CID 88964238
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
5-(4-pentylcyclohexyl)-2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]oxane
CID 123862596
1-(4-ethoxy-3-fluoro-2-methylphenyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]butan-1-one
CID 118283746
3-(4-propylcyclohexyl)oxane
CID 150771088

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one?
The IUPAC name of 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one (CID 58942424) is 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one.
What is the SMILES notation for 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one?
The canonical SMILES for 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one is CCCC(=O)c1ccc(C2CCC(C3CCC(CCC)CC3)CO2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one?
The InChIKey is DZRNCKZEPCRINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3/c1-3-5-17-7-9-18(10-8-17)20-12-14-24(27-16-20)19-11-13-21(23(26)15-19)22(25)6-4-2/h11,13,15,17-18,20,24,26H,3-10,12,14,16H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one?
1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one has a molecular weight of 372.55 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[5-(4-propylcyclohexyl)oxan-2-yl]phenyl]butan-1-one is sourced from PubChem (CID 58942424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).