1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol

C143H232Br4O9Si4 — CID 160751663

IUPAC1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
SMILESC=C(C)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)C)c1OCC.CCCCCC1CCC(C2CCC(c3cc(Br)c(O)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc(Br)c(OCC)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc([SiH](C)C)c(OCC)c([SiH](C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C43H72O5Si2.C29H52OSi2.C25H38Br2O.C23H34Br2O.C23H36O/c1-11-13-14-17-34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-30-39(49(7,8)28-15-26-47-42(44)32(3)4)41(46-12-2)40(31-38)50(9,10)29-16-27-48-43(45)33(5)6;1-7-9-10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-20-27(31(3)4)29(30-8-2)28(21-26)32(5)6;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-23(26)25(28-4-2)24(27)17-22;1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20;1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h30-31,34-37H,3,5,11-29H2,1-2,4,6-10H3;20-25,31-32H,7-19H2,1-6H3;16-21H,3-15H2,1-2H3;14-19,26H,2-13H2,1H3;14-21,24H,2-13H2,1H3
InChIKeyRWXDBMWAJYRKJM-UHFFFAOYSA-N
MW2527.38 g/mol
LogP42.63
Rot. Bonds50

About 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol

1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol (PubChem CID 160751663) has the molecular formula C143H232Br4O9Si4 and a molecular weight of 2527.38 g/mol. Its IUPAC name is 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol.

Molecular Properties

Compound Name1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
PubChem CID160751663
Molecular FormulaC143H232Br4O9Si4
Molecular Weight2527.38 g/mol
Exact Mass2521.35
IUPAC Name1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
SMILESC=C(C)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)C)c1OCC.CCCCCC1CCC(C2CCC(c3cc(Br)c(O)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc(Br)c(OCC)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc([SiH](C)C)c(OCC)c([SiH](C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C43H72O5Si2.C29H52OSi2.C25H38Br2O.C23H34Br2O.C23H36O/c1-11-13-14-17-34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-30-39(49(7,8)28-15-26-47-42(44)32(3)4)41(46-12-2)40(31-38)50(9,10)29-16-27-48-43(45)33(5)6;1-7-9-10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-20-27(31(3)4)29(30-8-2)28(21-26)32(5)6;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-23(26)25(28-4-2)24(27)17-22;1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20;1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h30-31,34-37H,3,5,11-29H2,1-2,4,6-10H3;20-25,31-32H,7-19H2,1-6H3;16-21H,3-15H2,1-2H3;14-19,26H,2-13H2,1H3;14-21,24H,2-13H2,1H3
InChIKeyRWXDBMWAJYRKJM-UHFFFAOYSA-N
XLogP42.63
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds50
Heavy Atoms160
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002527.38
LogP ≤ 542.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The IUPAC name of 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol (CID 160751663) is 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol.
What is the SMILES notation for 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The canonical SMILES for 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol is C=C(C)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)C)c1OCC.CCCCCC1CCC(C2CCC(c3cc(Br)c(O)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc(Br)c(OCC)c(Br)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc([SiH](C)C)c(OCC)c([SiH](C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The InChIKey is RWXDBMWAJYRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H72O5Si2.C29H52OSi2.C25H38Br2O.C23H34Br2O.C23H36O/c1-11-13-14-17-34-18-20-35(21-19-34)36-22-24-37(25-23-36)38-30-39(49(7,8)28-15-26-47-42(44)32(3)4)41(46-12-2)40(31-38)50(9,10)29-16-27-48-43(45)33(5)6;1-7-9-10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-20-27(31(3)4)29(30-8-2)28(21-26)32(5)6;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-23(26)25(28-4-2)24(27)17-22;1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20;1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h30-31,34-37H,3,5,11-29H2,1-2,4,6-10H3;20-25,31-32H,7-19H2,1-6H3;16-21H,3-15H2,1-2H3;14-19,26H,2-13H2,1H3;14-21,24H,2-13H2,1H3.
What are the key properties of 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol has a molecular weight of 2527.38 g/mol, XLogP of 42.63, 50 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol is sourced from PubChem (CID 160751663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).