3-[(4-tert-butylphenyl)-phenylmethyl]thiophene

C21H22S — CID 132547015

IUPAC3-[(4-tert-butylphenyl)-phenylmethyl]thiophene
SMILESCC(C)(C)c1ccc(C(c2ccccc2)c2ccsc2)cc1
InChIInChI=1S/C21H22S/c1-21(2,3)19-11-9-17(10-12-19)20(18-13-14-22-15-18)16-7-5-4-6-8-16/h4-15,20H,1-3H3
InChIKeyQFSMEAGWUWWTMV-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.23
Rot. Bonds3

About 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene

3-[(4-tert-butylphenyl)-phenylmethyl]thiophene (PubChem CID 132547015) has the molecular formula C21H22S and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)-phenylmethyl]thiophene
PubChem CID132547015
Molecular FormulaC21H22S
Molecular Weight306.47 g/mol
Exact Mass306.14
IUPAC Name3-[(4-tert-butylphenyl)-phenylmethyl]thiophene
SMILESCC(C)(C)c1ccc(C(c2ccccc2)c2ccsc2)cc1
InChIInChI=1S/C21H22S/c1-21(2,3)19-11-9-17(10-12-19)20(18-13-14-22-15-18)16-7-5-4-6-8-16/h4-15,20H,1-3H3
InChIKeyQFSMEAGWUWWTMV-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
CID 160759704
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
2-[phenyl(thiophen-3-yl)methyl]-1,3-benzoxazole
CID 177462064
3-[2-bromo-2-(4-tert-butylphenyl)ethyl]thiophene
CID 63544455
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene?
The IUPAC name of 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene (CID 132547015) is 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene.
What is the SMILES notation for 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene?
The canonical SMILES for 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene is CC(C)(C)c1ccc(C(c2ccccc2)c2ccsc2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene?
The InChIKey is QFSMEAGWUWWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22S/c1-21(2,3)19-11-9-17(10-12-19)20(18-13-14-22-15-18)16-7-5-4-6-8-16/h4-15,20H,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene?
3-[(4-tert-butylphenyl)-phenylmethyl]thiophene has a molecular weight of 306.47 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)-phenylmethyl]thiophene is sourced from PubChem (CID 132547015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).