ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C33H40 — CID 145481867

IUPACethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C14H14.C2H6/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2/h5-12H,1-4H3;3-10H,1-2H3;1-2H3
InChIKeyUEKBUPLJGFCAPI-UHFFFAOYSA-N
MW436.68 g/mol
LogP9.63
Rot. Bonds3

About ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 145481867) has the molecular formula C33H40 and a molecular weight of 436.68 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID145481867
Molecular FormulaC33H40
Molecular Weight436.68 g/mol
Exact Mass436.31
IUPAC Nameethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C14H14.C2H6/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2/h5-12H,1-4H3;3-10H,1-2H3;1-2H3
InChIKeyUEKBUPLJGFCAPI-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 167696402
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
CID 22978857
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
1-tert-butyl-4-methylbenzene
CID 163486601
1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 158122818
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 145481867) is ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is CC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is UEKBUPLJGFCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C14H14.C2H6/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2/h5-12H,1-4H3;3-10H,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 436.68 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 145481867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).