3-methoxy-5-thiophen-3-ylphenol

C11H10O2S — CID 53220697

IUPAC3-methoxy-5-thiophen-3-ylphenol
SMILESCOc1cc(O)cc(-c2ccsc2)c1
InChIInChI=1S/C11H10O2S/c1-13-11-5-9(4-10(12)6-11)8-2-3-14-7-8/h2-7,12H,1H3
InChIKeyWVLNRLPLVSOYCG-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.13
Rot. Bonds2

About 3-methoxy-5-thiophen-3-ylphenol

3-methoxy-5-thiophen-3-ylphenol (PubChem CID 53220697) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methoxy-5-thiophen-3-ylphenol.

Molecular Properties

Compound Name3-methoxy-5-thiophen-3-ylphenol
PubChem CID53220697
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name3-methoxy-5-thiophen-3-ylphenol
SMILESCOc1cc(O)cc(-c2ccsc2)c1
InChIInChI=1S/C11H10O2S/c1-13-11-5-9(4-10(12)6-11)8-2-3-14-7-8/h2-7,12H,1H3
InChIKeyWVLNRLPLVSOYCG-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-thiophen-3-ylphenol?
The IUPAC name of 3-methoxy-5-thiophen-3-ylphenol (CID 53220697) is 3-methoxy-5-thiophen-3-ylphenol.
What is the SMILES notation for 3-methoxy-5-thiophen-3-ylphenol?
The canonical SMILES for 3-methoxy-5-thiophen-3-ylphenol is COc1cc(O)cc(-c2ccsc2)c1.
What is the InChIKey of 3-methoxy-5-thiophen-3-ylphenol?
The InChIKey is WVLNRLPLVSOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-13-11-5-9(4-10(12)6-11)8-2-3-14-7-8/h2-7,12H,1H3.
What are the key properties of 3-methoxy-5-thiophen-3-ylphenol?
3-methoxy-5-thiophen-3-ylphenol has a molecular weight of 206.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-thiophen-3-ylphenol is sourced from PubChem (CID 53220697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).