2-(4-phenylthiophen-2-yl)ethanol

C12H12OS — CID 125484470

IUPAC2-(4-phenylthiophen-2-yl)ethanol
SMILESOCCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12OS/c13-7-6-12-8-11(9-14-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyPBPZQMSDYUFNDQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-phenylthiophen-2-yl)ethanol

2-(4-phenylthiophen-2-yl)ethanol (PubChem CID 125484470) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(4-phenylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-phenylthiophen-2-yl)ethanol
PubChem CID125484470
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-(4-phenylthiophen-2-yl)ethanol
SMILESOCCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12OS/c13-7-6-12-8-11(9-14-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyPBPZQMSDYUFNDQ-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-phenylthiophen-2-yl)ethanol (CID 125484470) is 2-(4-phenylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-phenylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-phenylthiophen-2-yl)ethanol is OCCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenylthiophen-2-yl)ethanol?
The InChIKey is PBPZQMSDYUFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c13-7-6-12-8-11(9-14-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2.
What are the key properties of 2-(4-phenylthiophen-2-yl)ethanol?
2-(4-phenylthiophen-2-yl)ethanol has a molecular weight of 204.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylthiophen-2-yl)ethanol is sourced from PubChem (CID 125484470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).