1-phenyl-1-thiophen-2-ylethanol

C12H12OS — CID 4259300

IUPAC1-phenyl-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H12OS/c1-12(13,11-8-5-9-14-11)10-6-3-2-4-7-10/h2-9,13H,1H3
InChIKeyAYOJSSYJULAZBA-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.00
Rot. Bonds2

About 1-phenyl-1-thiophen-2-ylethanol

1-phenyl-1-thiophen-2-ylethanol (PubChem CID 4259300) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-phenyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-phenyl-1-thiophen-2-ylethanol
PubChem CID4259300
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name1-phenyl-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C12H12OS/c1-12(13,11-8-5-9-14-11)10-6-3-2-4-7-10/h2-9,13H,1H3
InChIKeyAYOJSSYJULAZBA-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-thiophen-2-ylethanol?
The IUPAC name of 1-phenyl-1-thiophen-2-ylethanol (CID 4259300) is 1-phenyl-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-phenyl-1-thiophen-2-ylethanol?
The canonical SMILES for 1-phenyl-1-thiophen-2-ylethanol is CC(O)(c1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-1-thiophen-2-ylethanol?
The InChIKey is AYOJSSYJULAZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-12(13,11-8-5-9-14-11)10-6-3-2-4-7-10/h2-9,13H,1H3.
What are the key properties of 1-phenyl-1-thiophen-2-ylethanol?
1-phenyl-1-thiophen-2-ylethanol has a molecular weight of 204.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 4259300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).