4-(4-ethylthiophen-2-yl)phenol

C12H12OS — CID 53445730

IUPAC4-(4-ethylthiophen-2-yl)phenol
SMILESCCc1csc(-c2ccc(O)cc2)c1
InChIInChI=1S/C12H12OS/c1-2-9-7-12(14-8-9)10-3-5-11(13)6-4-10/h3-8,13H,2H2,1H3
InChIKeyPIOGOJZEEFPXBB-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.68
Rot. Bonds2

About 4-(4-ethylthiophen-2-yl)phenol

4-(4-ethylthiophen-2-yl)phenol (PubChem CID 53445730) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-(4-ethylthiophen-2-yl)phenol.

Molecular Properties

Compound Name4-(4-ethylthiophen-2-yl)phenol
PubChem CID53445730
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name4-(4-ethylthiophen-2-yl)phenol
SMILESCCc1csc(-c2ccc(O)cc2)c1
InChIInChI=1S/C12H12OS/c1-2-9-7-12(14-8-9)10-3-5-11(13)6-4-10/h3-8,13H,2H2,1H3
InChIKeyPIOGOJZEEFPXBB-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylthiophen-2-yl)phenol?
The IUPAC name of 4-(4-ethylthiophen-2-yl)phenol (CID 53445730) is 4-(4-ethylthiophen-2-yl)phenol.
What is the SMILES notation for 4-(4-ethylthiophen-2-yl)phenol?
The canonical SMILES for 4-(4-ethylthiophen-2-yl)phenol is CCc1csc(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(4-ethylthiophen-2-yl)phenol?
The InChIKey is PIOGOJZEEFPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-2-9-7-12(14-8-9)10-3-5-11(13)6-4-10/h3-8,13H,2H2,1H3.
What are the key properties of 4-(4-ethylthiophen-2-yl)phenol?
4-(4-ethylthiophen-2-yl)phenol has a molecular weight of 204.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylthiophen-2-yl)phenol is sourced from PubChem (CID 53445730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).