ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene

C16H22S — CID 155737629

IUPACethane;3-methyl-2-phenyl-5-propan-2-ylthiophene
SMILESCC.Cc1cc(C(C)C)sc1-c1ccccc1
InChIInChI=1S/C14H16S.C2H6/c1-10(2)13-9-11(3)14(15-13)12-7-5-4-6-8-12;1-2/h4-10H,1-3H3;1-2H3
InChIKeyHQFSWXCVAXHGMA-UHFFFAOYSA-N
MW246.42 g/mol
LogP5.87
Rot. Bonds2

About ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene

ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene (PubChem CID 155737629) has the molecular formula C16H22S and a molecular weight of 246.42 g/mol. Its IUPAC name is ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;3-methyl-2-phenyl-5-propan-2-ylthiophene
PubChem CID155737629
Molecular FormulaC16H22S
Molecular Weight246.42 g/mol
Exact Mass246.14
IUPAC Nameethane;3-methyl-2-phenyl-5-propan-2-ylthiophene
SMILESCC.Cc1cc(C(C)C)sc1-c1ccccc1
InChIInChI=1S/C14H16S.C2H6/c1-10(2)13-9-11(3)14(15-13)12-7-5-4-6-8-12;1-2/h4-10H,1-3H3;1-2H3
InChIKeyHQFSWXCVAXHGMA-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(3-methyl-5-propan-2-ylthiophen-2-yl)thieno[3,2-b]thiophene
CID 176857241
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
CID 101101183
4-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-5-phenyl-2-propan-2-ylthiophen-3-yl)cyclopenten-1-yl]-3-methyl-2-phenyl-5-propan-2-ylthiophene
CID 101157442
benzene;1,1'-biphenyl;ethane
CID 158550617
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
3-[5-bromo-2-(2,4-dimethyl-5-phenylthiophen-3-yl)thiophen-3-yl]-2,4-dimethyl-5-phenylthiophene
CID 23631078
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene
CID 70951315
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 125434439

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene?
The IUPAC name of ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene (CID 155737629) is ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene.
What is the SMILES notation for ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene?
The canonical SMILES for ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene is CC.Cc1cc(C(C)C)sc1-c1ccccc1.
What is the InChIKey of ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene?
The InChIKey is HQFSWXCVAXHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S.C2H6/c1-10(2)13-9-11(3)14(15-13)12-7-5-4-6-8-12;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene?
ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene has a molecular weight of 246.42 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-phenyl-5-propan-2-ylthiophene is sourced from PubChem (CID 155737629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).