1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene

C162H215NO20S8-6 — CID 159067432

IUPAC1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene
SMILESCC(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3cccs3)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(C(=O)NC(C)C)cc2C)cc1.Cc1ccc(CCc2ccc(C)c(OCC3CC3)c2C)cc1.Cc1ccc(CCc2ccc(C3CCCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCOCC3)cc2)cc1.Cc1ccc(CCc2cccc(OC3CCCC3)c2)cc1
InChIInChI=1S/C22H24O2S2.C21H26O.C21H26.C20H25NO.C20H24O2.2C20H24O.6C3H8O2S/c1-17(2)26(23,24)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22-4-3-15-25-22;1-15-4-7-18(8-5-15)11-13-20-12-6-16(2)21(17(20)3)22-14-19-9-10-19;1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;1-14(2)21-20(22)19-12-11-18(16(4)13-19)10-9-17-7-5-15(3)6-8-17;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)22-20-12-14-21-15-13-20;1-16-9-11-17(12-10-16)13-14-18-5-4-8-20(15-18)21-19-6-2-3-7-19;1-16-6-8-17(9-7-16)10-11-18-12-14-20(15-13-18)21-19-4-2-3-5-19;6*1-3(2)6(4)5/h3-4,7-15,17H,5-6,16H2,1-2H3;4-8,12,19H,9-11,13-14H2,1-3H3;7-10,13-16,20H,2-6,11-12H2,1H3;5-8,11-14H,9-10H2,1-4H3,(H,21,22);2-5,8-11,20H,6-7,12-15H2,1H3;4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3;6-9,12-15,19H,2-5,10-11H2,1H3;6*3H,1-2H3,(H,4,5)/p-6
InChIKeyICOWTGXRMRWBIB-UHFFFAOYSA-H
MW2753.02 g/mol
LogP36.95
Rot. Bonds43

About 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene

1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene (PubChem CID 159067432) has the molecular formula C162H215NO20S8-6 and a molecular weight of 2753.02 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene
PubChem CID159067432
Molecular FormulaC162H215NO20S8-6
Molecular Weight2753.02 g/mol
Exact Mass2750.36
IUPAC Name1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene
SMILESCC(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3cccs3)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(C(=O)NC(C)C)cc2C)cc1.Cc1ccc(CCc2ccc(C)c(OCC3CC3)c2C)cc1.Cc1ccc(CCc2ccc(C3CCCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCOCC3)cc2)cc1.Cc1ccc(CCc2cccc(OC3CCCC3)c2)cc1
InChIInChI=1S/C22H24O2S2.C21H26O.C21H26.C20H25NO.C20H24O2.2C20H24O.6C3H8O2S/c1-17(2)26(23,24)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22-4-3-15-25-22;1-15-4-7-18(8-5-15)11-13-20-12-6-16(2)21(17(20)3)22-14-19-9-10-19;1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;1-14(2)21-20(22)19-12-11-18(16(4)13-19)10-9-17-7-5-15(3)6-8-17;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)22-20-12-14-21-15-13-20;1-16-9-11-17(12-10-16)13-14-18-5-4-8-20(15-18)21-19-6-2-3-7-19;1-16-6-8-17(9-7-16)10-11-18-12-14-20(15-13-18)21-19-4-2-3-5-19;6*1-3(2)6(4)5/h3-4,7-15,17H,5-6,16H2,1-2H3;4-8,12,19H,9-11,13-14H2,1-3H3;7-10,13-16,20H,2-6,11-12H2,1H3;5-8,11-14H,9-10H2,1-4H3,(H,21,22);2-5,8-11,20H,6-7,12-15H2,1H3;4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3;6-9,12-15,19H,2-5,10-11H2,1H3;6*3H,1-2H3,(H,4,5)/p-6
InChIKeyICOWTGXRMRWBIB-UHFFFAOYSA-H
XLogP36.95
TPSA350.17 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002753.02
LogP ≤ 536.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene?
The IUPAC name of 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene (CID 159067432) is 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene.
What is the SMILES notation for 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene?
The canonical SMILES for 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene is CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3cccs3)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1ccc(CCc2ccc(C(=O)NC(C)C)cc2C)cc1.Cc1ccc(CCc2ccc(C)c(OCC3CC3)c2C)cc1.Cc1ccc(CCc2ccc(C3CCCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCCC3)cc2)cc1.Cc1ccc(CCc2ccc(OC3CCOCC3)cc2)cc1.Cc1ccc(CCc2cccc(OC3CCCC3)c2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene?
The InChIKey is ICOWTGXRMRWBIB-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H24O2S2.C21H26O.C21H26.C20H25NO.C20H24O2.2C20H24O.6C3H8O2S/c1-17(2)26(23,24)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22-4-3-15-25-22;1-15-4-7-18(8-5-15)11-13-20-12-6-16(2)21(17(20)3)22-14-19-9-10-19;1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;1-14(2)21-20(22)19-12-11-18(16(4)13-19)10-9-17-7-5-15(3)6-8-17;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)22-20-12-14-21-15-13-20;1-16-9-11-17(12-10-16)13-14-18-5-4-8-20(15-18)21-19-6-2-3-7-19;1-16-6-8-17(9-7-16)10-11-18-12-14-20(15-13-18)21-19-4-2-3-5-19;6*1-3(2)6(4)5/h3-4,7-15,17H,5-6,16H2,1-2H3;4-8,12,19H,9-11,13-14H2,1-3H3;7-10,13-16,20H,2-6,11-12H2,1H3;5-8,11-14H,9-10H2,1-4H3,(H,21,22);2-5,8-11,20H,6-7,12-15H2,1H3;4-5,8-12,15,19H,2-3,6-7,13-14H2,1H3;6-9,12-15,19H,2-5,10-11H2,1H3;6*3H,1-2H3,(H,4,5)/p-6.
What are the key properties of 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene?
1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene has a molecular weight of 2753.02 g/mol, XLogP of 36.95, 43 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-3-[2-(4-methylphenyl)ethyl]benzene;1-cyclopentyloxy-4-[2-(4-methylphenyl)ethyl]benzene;2-(cyclopropylmethoxy)-1,3-dimethyl-4-[2-(4-methylphenyl)ethyl]benzene;3-methyl-4-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzamide;4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;hexakis(propane-2-sulfinate);2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene is sourced from PubChem (CID 159067432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).