4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)

C118H154Cl14N2O — CID 159915831

IUPAC4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)
SMILESCC1(O)CCC(c2ccc(Cl)c(Cl)c2)(C2CCCC2)CC1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C18H24Cl2O.2C17H23Cl2N.2C17H22Cl2.2C16H20Cl2/c1-17(21)8-10-18(11-9-17,13-4-2-3-5-13)14-6-7-15(19)16(20)12-14;2*1-20-10-7-14(12-20)17(8-3-2-4-9-17)13-5-6-15(18)16(19)11-13;2*18-15-9-8-14(12-16(15)19)17(10-4-1-5-11-17)13-6-2-3-7-13;2*17-14-8-7-13(11-15(14)18)16(9-3-4-10-16)12-5-1-2-6-12/h6-7,12-13,21H,2-5,8-11H2,1H3;2*5-6,11,14H,2-4,7-10,12H2,1H3;2*8-9,12-13H,1-7,10-11H2;2*7-8,11-12H,1-6,9-10H2
InChIKeyNXTMXILOQXCYHL-UHFFFAOYSA-N
MW2112.88 g/mol
LogP40.80
Rot. Bonds14

About 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)

4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) (PubChem CID 159915831) has the molecular formula C118H154Cl14N2O and a molecular weight of 2112.88 g/mol. Its IUPAC name is 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine).

Molecular Properties

Compound Name4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)
PubChem CID159915831
Molecular FormulaC118H154Cl14N2O
Molecular Weight2112.88 g/mol
Exact Mass2104.77
IUPAC Name4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)
SMILESCC1(O)CCC(c2ccc(Cl)c(Cl)c2)(C2CCCC2)CC1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C18H24Cl2O.2C17H23Cl2N.2C17H22Cl2.2C16H20Cl2/c1-17(21)8-10-18(11-9-17,13-4-2-3-5-13)14-6-7-15(19)16(20)12-14;2*1-20-10-7-14(12-20)17(8-3-2-4-9-17)13-5-6-15(18)16(19)11-13;2*18-15-9-8-14(12-16(15)19)17(10-4-1-5-11-17)13-6-2-3-7-13;2*17-14-8-7-13(11-15(14)18)16(9-3-4-10-16)12-5-1-2-6-12/h6-7,12-13,21H,2-5,8-11H2,1H3;2*5-6,11,14H,2-4,7-10,12H2,1H3;2*8-9,12-13H,1-7,10-11H2;2*7-8,11-12H,1-6,9-10H2
InChIKeyNXTMXILOQXCYHL-UHFFFAOYSA-N
XLogP40.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002112.88
LogP ≤ 540.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) with MolForge

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Related Compounds

(3aS,6aR)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;(3aR,6aS)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 159144710
(7aS)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 134561008
(3aS)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 134554799
3-[4-(3-chloro-4-methylphenyl)oxan-4-yl]-1-methylpyrrolidine
CID 118327434
1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene
CID 54515841
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
3-[(5aR,8aS)-2-methyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;hydrochloride
CID 86736364
2-methyl-5a-(3-propan-2-yloxyphenyl)-3,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepine
CID 21330681
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
(3aR,7aS)-2-methyl-7a-naphthalen-2-yl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 53391517

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)?
The IUPAC name of 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) (CID 159915831) is 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine).
What is the SMILES notation for 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)?
The canonical SMILES for 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) is CC1(O)CCC(c2ccc(Cl)c(Cl)c2)(C2CCCC2)CC1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.CN1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)C1.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl.Clc1ccc(C2(C3CCCC3)CCCCC2)cc1Cl.
What is the InChIKey of 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)?
The InChIKey is NXTMXILOQXCYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2O.2C17H23Cl2N.2C17H22Cl2.2C16H20Cl2/c1-17(21)8-10-18(11-9-17,13-4-2-3-5-13)14-6-7-15(19)16(20)12-14;2*1-20-10-7-14(12-20)17(8-3-2-4-9-17)13-5-6-15(18)16(19)11-13;2*18-15-9-8-14(12-16(15)19)17(10-4-1-5-11-17)13-6-2-3-7-13;2*17-14-8-7-13(11-15(14)18)16(9-3-4-10-16)12-5-1-2-6-12/h6-7,12-13,21H,2-5,8-11H2,1H3;2*5-6,11,14H,2-4,7-10,12H2,1H3;2*8-9,12-13H,1-7,10-11H2;2*7-8,11-12H,1-6,9-10H2.
What are the key properties of 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)?
4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) has a molecular weight of 2112.88 g/mol, XLogP of 40.80, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine) is sourced from PubChem (CID 159915831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).