5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane

C155H172BrCl4F5O17 — CID 159274058

IUPAC5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane
SMILESC.CC(=O)CCCc1ccc(OC2CCC(OCc3c(Cl)cccc3Cl)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(C)cc3)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(Cl)cc3Br)CC2)cc1-c1cccc(F)c1.COc1cc(C)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1.COc1cc(Cl)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C32H37FO4.C31H34ClFO4.C31H35FO3.C30H31BrClFO3.C30H31Cl2FO3.CH4/c1-22-10-11-26(32(18-22)35-3)21-36-28-14-16-29(17-15-28)37-30-13-12-24(7-4-6-23(2)34)31(20-30)25-8-5-9-27(33)19-25;1-21(34)5-3-6-22-10-12-29(19-30(22)23-7-4-8-26(33)17-23)37-28-15-13-27(14-16-28)36-20-24-9-11-25(32)18-31(24)35-2;1-22-9-11-24(12-10-22)21-34-28-15-17-29(18-16-28)35-30-14-13-25(6-3-5-23(2)33)31(20-30)26-7-4-8-27(32)19-26;1-20(34)4-2-5-21-9-11-28(18-29(21)22-6-3-7-25(33)16-22)36-27-14-12-26(13-15-27)35-19-23-8-10-24(32)17-30(23)31;1-20(34)5-2-6-21-11-12-26(18-27(21)22-7-3-8-23(33)17-22)36-25-15-13-24(14-16-25)35-19-28-29(31)9-4-10-30(28)32;/h5,8-13,18-20,28-29H,4,6-7,14-17,21H2,1-3H3;4,7-12,17-19,27-28H,3,5-6,13-16,20H2,1-2H3;4,7-14,19-20,28-29H,3,5-6,15-18,21H2,1-2H3;3,6-11,16-18,26-27H,2,4-5,12-15,19H2,1H3;3-4,7-12,17-18,24-25H,2,5-6,13-16,19H2,1H3;1H4
InChIKeyKYBQGRMDINZUFG-UHFFFAOYSA-N
MW2623.77 g/mol
LogP41.20
Rot. Bonds52

About 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane

5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane (PubChem CID 159274058) has the molecular formula C155H172BrCl4F5O17 and a molecular weight of 2623.77 g/mol. Its IUPAC name is 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane.

Molecular Properties

Compound Name5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane
PubChem CID159274058
Molecular FormulaC155H172BrCl4F5O17
Molecular Weight2623.77 g/mol
Exact Mass2619.05
IUPAC Name5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane
SMILESC.CC(=O)CCCc1ccc(OC2CCC(OCc3c(Cl)cccc3Cl)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(C)cc3)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(Cl)cc3Br)CC2)cc1-c1cccc(F)c1.COc1cc(C)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1.COc1cc(Cl)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C32H37FO4.C31H34ClFO4.C31H35FO3.C30H31BrClFO3.C30H31Cl2FO3.CH4/c1-22-10-11-26(32(18-22)35-3)21-36-28-14-16-29(17-15-28)37-30-13-12-24(7-4-6-23(2)34)31(20-30)25-8-5-9-27(33)19-25;1-21(34)5-3-6-22-10-12-29(19-30(22)23-7-4-8-26(33)17-23)37-28-15-13-27(14-16-28)36-20-24-9-11-25(32)18-31(24)35-2;1-22-9-11-24(12-10-22)21-34-28-15-17-29(18-16-28)35-30-14-13-25(6-3-5-23(2)33)31(20-30)26-7-4-8-27(32)19-26;1-20(34)4-2-5-21-9-11-28(18-29(21)22-6-3-7-25(33)16-22)36-27-14-12-26(13-15-27)35-19-23-8-10-24(32)17-30(23)31;1-20(34)5-2-6-21-11-12-26(18-27(21)22-7-3-8-23(33)17-22)36-25-15-13-24(14-16-25)35-19-28-29(31)9-4-10-30(28)32;/h5,8-13,18-20,28-29H,4,6-7,14-17,21H2,1-3H3;4,7-12,17-19,27-28H,3,5-6,13-16,20H2,1-2H3;4,7-14,19-20,28-29H,3,5-6,15-18,21H2,1-2H3;3,6-11,16-18,26-27H,2,4-5,12-15,19H2,1H3;3-4,7-12,17-18,24-25H,2,5-6,13-16,19H2,1H3;1H4
InChIKeyKYBQGRMDINZUFG-UHFFFAOYSA-N
XLogP41.20
TPSA196.11 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds52
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.77
LogP ≤ 541.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane?
The IUPAC name of 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane (CID 159274058) is 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane.
What is the SMILES notation for 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane?
The canonical SMILES for 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane is C.CC(=O)CCCc1ccc(OC2CCC(OCc3c(Cl)cccc3Cl)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(C)cc3)CC2)cc1-c1cccc(F)c1.CC(=O)CCCc1ccc(OC2CCC(OCc3ccc(Cl)cc3Br)CC2)cc1-c1cccc(F)c1.COc1cc(C)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1.COc1cc(Cl)ccc1COC1CCC(Oc2ccc(CCCC(C)=O)c(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane?
The InChIKey is KYBQGRMDINZUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FO4.C31H34ClFO4.C31H35FO3.C30H31BrClFO3.C30H31Cl2FO3.CH4/c1-22-10-11-26(32(18-22)35-3)21-36-28-14-16-29(17-15-28)37-30-13-12-24(7-4-6-23(2)34)31(20-30)25-8-5-9-27(33)19-25;1-21(34)5-3-6-22-10-12-29(19-30(22)23-7-4-8-26(33)17-23)37-28-15-13-27(14-16-28)36-20-24-9-11-25(32)18-31(24)35-2;1-22-9-11-24(12-10-22)21-34-28-15-17-29(18-16-28)35-30-14-13-25(6-3-5-23(2)33)31(20-30)26-7-4-8-27(32)19-26;1-20(34)4-2-5-21-9-11-28(18-29(21)22-6-3-7-25(33)16-22)36-27-14-12-26(13-15-27)35-19-23-8-10-24(32)17-30(23)31;1-20(34)5-2-6-21-11-12-26(18-27(21)22-7-3-8-23(33)17-22)36-25-15-13-24(14-16-25)35-19-28-29(31)9-4-10-30(28)32;/h5,8-13,18-20,28-29H,4,6-7,14-17,21H2,1-3H3;4,7-12,17-19,27-28H,3,5-6,13-16,20H2,1-2H3;4,7-14,19-20,28-29H,3,5-6,15-18,21H2,1-2H3;3,6-11,16-18,26-27H,2,4-5,12-15,19H2,1H3;3-4,7-12,17-18,24-25H,2,5-6,13-16,19H2,1H3;1H4.
What are the key properties of 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane?
5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane has a molecular weight of 2623.77 g/mol, XLogP of 41.20, 52 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane is sourced from PubChem (CID 159274058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).