2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

C13H11FOS — CID 14771894

IUPAC2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCc1cc(/C=C/c2cccs2)cc(F)c1O
InChIInChI=1S/C13H11FOS/c1-9-7-10(8-12(14)13(9)15)4-5-11-3-2-6-16-11/h2-8,15H,1H3/b5-4+
InChIKeyMMQWBBZHPFOLKO-SNAWJCMRSA-N
MW234.29 g/mol
LogP4.07
Rot. Bonds2

About 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14771894) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14771894
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCc1cc(/C=C/c2cccs2)cc(F)c1O
InChIInChI=1S/C13H11FOS/c1-9-7-10(8-12(14)13(9)15)4-5-11-3-2-6-16-11/h2-8,15H,1H3/b5-4+
InChIKeyMMQWBBZHPFOLKO-SNAWJCMRSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14771894) is 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is Cc1cc(/C=C/c2cccs2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is MMQWBBZHPFOLKO-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H11FOS/c1-9-7-10(8-12(14)13(9)15)4-5-11-3-2-6-16-11/h2-8,15H,1H3/b5-4+.
What are the key properties of 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 234.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14771894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).