3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol

C15H18OS — CID 122379920

IUPAC3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C15H18OS/c1-12(2)11-15(16,14-9-6-10-17-14)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3
InChIKeyCXPUGKBVLIBMSD-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.03
Rot. Bonds4

About 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol

3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 122379920) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol
PubChem CID122379920
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)CC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C15H18OS/c1-12(2)11-15(16,14-9-6-10-17-14)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3
InChIKeyCXPUGKBVLIBMSD-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol (CID 122379920) is 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol is CC(C)CC(O)(c1ccccc1)c1cccs1.
What is the InChIKey of 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is CXPUGKBVLIBMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-12(2)11-15(16,14-9-6-10-17-14)13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol?
3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol has a molecular weight of 246.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 122379920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).