1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene

C143H192ClO15S7-5 — CID 161332828

IUPAC1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H28O2S.C19H24O3S.2C19H24.C18H22.C17H20.C15H15Cl.5C3H8O2S/c1-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)16-24(22,23)17(2)3;1-15(2)23(20,21)14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17;1-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19(2,3)4;1-4-16(3)19-13-11-18(12-14-19)10-9-17-7-5-15(2)6-8-17;1-14(2)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3;6-13,15H,4-5,14H2,1-3H3;5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;4-11H,3,12-13H2,1-2H3;2-5,8-11H,6-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5
InChIKeyDUZMYCWULJUVKI-UHFFFAOYSA-I
MW2411.02 g/mol
LogP33.97
Rot. Bonds39

About 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene

1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene (PubChem CID 161332828) has the molecular formula C143H192ClO15S7-5 and a molecular weight of 2411.02 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene
PubChem CID161332828
Molecular FormulaC143H192ClO15S7-5
Molecular Weight2411.02 g/mol
Exact Mass2408.20
IUPAC Name1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H28O2S.C19H24O3S.2C19H24.C18H22.C17H20.C15H15Cl.5C3H8O2S/c1-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)16-24(22,23)17(2)3;1-15(2)23(20,21)14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17;1-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19(2,3)4;1-4-16(3)19-13-11-18(12-14-19)10-9-17-7-5-15(2)6-8-17;1-14(2)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3;6-13,15H,4-5,14H2,1-3H3;5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;4-11H,3,12-13H2,1-2H3;2-5,8-11H,6-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5
InChIKeyDUZMYCWULJUVKI-UHFFFAOYSA-I
XLogP33.97
TPSA278.16 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002411.02
LogP ≤ 533.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene with MolForge

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Related Compounds

1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methoxy-4-[2-(4-methylphenyl)ethyl]benzene;heptakis(2-methylpropane-2-sulfinate);1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;1-methyl-4-[2-(4-propylphenyl)ethyl]benzene
CID 158740127
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
2-(4-acetyloxybenzoyl)oxyethanesulfonate;2-(4-tert-butylbenzoyl)oxyethanesulfonate;2-(4-ethylbenzoyl)oxyethanesulfonate;2-(4-methoxybenzoyl)oxyethanesulfonate;2-(4-methylbenzoyl)oxyethanesulfonate;2-(4-propan-2-ylbenzoyl)oxyethanesulfonate
CID 160918804
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-phenylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 159835989
N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 157483960
1-tert-butyl-4-methoxybenzene;1-chloro-4-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile
CID 159996071
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 140528978
ethane;1-ethyl-4-methylbenzene;1-ethyl-2-propylbenzene;methane;1-propan-2-yl-4-propylbenzene
CID 176686204
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 99939670
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene?
The IUPAC name of 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene (CID 161332828) is 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene.
What is the SMILES notation for 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene?
The canonical SMILES for 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene is 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-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(CCc2ccc(C(C)C)cc2)cc1.Cc1ccc(CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene?
The InChIKey is DUZMYCWULJUVKI-UHFFFAOYSA-I. The full InChI is InChI=1S/C21H28O2S.C19H24O3S.2C19H24.C18H22.C17H20.C15H15Cl.5C3H8O2S/c1-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)16-24(22,23)17(2)3;1-15(2)23(20,21)14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17;1-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19(2,3)4;1-4-16(3)19-13-11-18(12-14-19)10-9-17-7-5-15(2)6-8-17;1-14(2)18-12-10-17(11-13-18)9-8-16-6-4-15(3)5-7-16;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3;6-13,15H,4-5,14H2,1-3H3;5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;4-11H,3,12-13H2,1-2H3;2-5,8-11H,6-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5.
What are the key properties of 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene?
1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene has a molecular weight of 2411.02 g/mol, XLogP of 33.97, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[2-(4-methylphenyl)ethyl]benzene;1-tert-butyl-4-[2-(4-methylphenyl)ethyl]benzene;1-chloro-4-[2-(4-methylphenyl)ethyl]benzene;1-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-methyl-4-[2-(4-propan-2-ylphenyl)ethyl]benzene;pentakis(propane-2-sulfinate);1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-propylbenzene is sourced from PubChem (CID 161332828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).