2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene

C29H38S — CID 145275339

IUPAC2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene
SMILESCc1ccc(-c2ccc(Cc3cc(C(C)(C)CC(C)CC(C)C)ccc3C)s2)cc1
InChIInChI=1S/C29H38S/c1-20(2)16-22(4)19-29(6,7)26-13-10-23(5)25(17-26)18-27-14-15-28(30-27)24-11-8-21(3)9-12-24/h8-15,17,20,22H,16,18-19H2,1-7H3
InChIKeyZFRJEYMCOGBYDH-UHFFFAOYSA-N
MW418.69 g/mol
LogP8.97
Rot. Bonds8

About 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene

2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene (PubChem CID 145275339) has the molecular formula C29H38S and a molecular weight of 418.69 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene
PubChem CID145275339
Molecular FormulaC29H38S
Molecular Weight418.69 g/mol
Exact Mass418.27
IUPAC Name2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene
SMILESCc1ccc(-c2ccc(Cc3cc(C(C)(C)CC(C)CC(C)C)ccc3C)s2)cc1
InChIInChI=1S/C29H38S/c1-20(2)16-22(4)19-29(6,7)26-13-10-23(5)25(17-26)18-27-14-15-28(30-27)24-11-8-21(3)9-12-24/h8-15,17,20,22H,16,18-19H2,1-7H3
InChIKeyZFRJEYMCOGBYDH-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene with MolForge

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Related Compounds

ethane;2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene;propane
CID 145275338
3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol
CID 67990916
CID 88924789
CID 88924789
6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 169451511
1-[1-bromo-2-(bromomethyl)-4,6-dimethylheptan-2-yl]-4-methylbenzene
CID 114201469
4-[5-[(2-chloro-5-methylphenyl)methyl]thiophen-2-yl]-N,N-dimethylaniline
CID 58242621
2-(hydroxymethyl)-6-[3-[[5-(4-iodophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxane-3,4,5-triol
CID 130316119
2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
CID 169286654
(2R,3S,4S,5R)-2-ethyl-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trimethyloxane
CID 58224010
1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 43287664
(1R,2S,3S,4R)-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 163202573
(1R,2S,3S,4R,5R)-1-(hydroxymethyl)-5-[4-methyl-3-[[5-(4-methylphenyl)thiophen-2-yl]methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 158700764

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene?
The IUPAC name of 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene (CID 145275339) is 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene.
What is the SMILES notation for 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene?
The canonical SMILES for 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene is Cc1ccc(-c2ccc(Cc3cc(C(C)(C)CC(C)CC(C)C)ccc3C)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene?
The InChIKey is ZFRJEYMCOGBYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38S/c1-20(2)16-22(4)19-29(6,7)26-13-10-23(5)25(17-26)18-27-14-15-28(30-27)24-11-8-21(3)9-12-24/h8-15,17,20,22H,16,18-19H2,1-7H3.
What are the key properties of 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene?
2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene has a molecular weight of 418.69 g/mol, XLogP of 8.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[[2-methyl-5-(2,4,6-trimethylheptan-2-yl)phenyl]methyl]thiophene is sourced from PubChem (CID 145275339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).