2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol

C15H18OS — CID 65145168

IUPAC2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
SMILESCc1ccc(C(C)(O)CCc2cccs2)cc1
InChIInChI=1S/C15H18OS/c1-12-5-7-13(8-6-12)15(2,16)10-9-14-4-3-11-17-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyMIHHSCGGRADFSG-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol

2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol (PubChem CID 65145168) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
PubChem CID65145168
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
SMILESCc1ccc(C(C)(O)CCc2cccs2)cc1
InChIInChI=1S/C15H18OS/c1-12-5-7-13(8-6-12)15(2,16)10-9-14-4-3-11-17-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyMIHHSCGGRADFSG-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-(chloromethyl)-3-(4-methylphenyl)butyl]thiophene
CID 79446968
3-(2-hydroxy-4-thiophen-2-ylbutan-2-yl)benzonitrile
CID 115481319
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774402
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 55235928
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol?
The IUPAC name of 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol (CID 65145168) is 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol is Cc1ccc(C(C)(O)CCc2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol?
The InChIKey is MIHHSCGGRADFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-12-5-7-13(8-6-12)15(2,16)10-9-14-4-3-11-17-14/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol?
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol has a molecular weight of 246.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 65145168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).