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

C150H208ClO15S7-7 — CID 158740127

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-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
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(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/2C19H24.2C18H22.C17H20.C16H18O.C15H15Cl.7C4H10O2S/c1-15-5-7-16(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;1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;7*1-4(2,3)7(5)6/h5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;5-12H,3-4,13-14H2,1-2H3;4-11H,3,12-13H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-5,8-11H,6-7H2,1H3;7*1-3H3,(H,5,6)/p-7
InChIKeyCVBFNYQIMXZIFA-UHFFFAOYSA-G
MW2511.22 g/mol
LogP37.22
Rot. Bonds28

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-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

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 (PubChem CID 158740127) has the molecular formula C150H208ClO15S7-7 and a molecular weight of 2511.22 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-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.

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-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
PubChem CID158740127
Molecular FormulaC150H208ClO15S7-7
Molecular Weight2511.22 g/mol
Exact Mass2508.33
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-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
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(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/2C19H24.2C18H22.C17H20.C16H18O.C15H15Cl.7C4H10O2S/c1-15-5-7-16(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;1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;7*1-4(2,3)7(5)6/h5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;5-12H,3-4,13-14H2,1-2H3;4-11H,3,12-13H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-5,8-11H,6-7H2,1H3;7*1-3H3,(H,5,6)/p-7
InChIKeyCVBFNYQIMXZIFA-UHFFFAOYSA-G
XLogP37.22
TPSA290.14 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.22
LogP ≤ 537.22
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-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 with MolForge

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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-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?
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-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) 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-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.
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-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?
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-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 is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCC(C)c1ccc(CCc2ccc(C)cc2)cc1.CCCc1ccc(CCc2ccc(C)cc2)cc1.CCc1ccc(CCc2ccc(C)cc2)cc1.COc1ccc(CCc2ccc(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-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?
The InChIKey is CVBFNYQIMXZIFA-UHFFFAOYSA-G. The full InChI is InChI=1S/2C19H24.2C18H22.C17H20.C16H18O.C15H15Cl.7C4H10O2S/c1-15-5-7-16(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;1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17;1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;7*1-4(2,3)7(5)6/h5-8,11-14H,9-10H2,1-4H3;5-8,11-14,16H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;5-12H,3-4,13-14H2,1-2H3;4-11H,3,12-13H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-5,8-11H,6-7H2,1H3;7*1-3H3,(H,5,6)/p-7.
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-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?
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 has a molecular weight of 2511.22 g/mol, XLogP of 37.22, 28 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-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 is sourced from PubChem (CID 158740127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).