2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol

C14H12O2S — CID 129178295

IUPAC2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol
SMILESCOc1cc(C#Cc2cccs2)cc(C)c1O
InChIInChI=1S/C14H12O2S/c1-10-8-11(9-13(16-2)14(10)15)5-6-12-4-3-7-17-12/h3-4,7-9,15H,1-2H3
InChIKeyATINTEBZEOOIPX-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.17
Rot. Bonds1

About 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol

2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol (PubChem CID 129178295) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol
PubChem CID129178295
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol
SMILESCOc1cc(C#Cc2cccs2)cc(C)c1O
InChIInChI=1S/C14H12O2S/c1-10-8-11(9-13(16-2)14(10)15)5-6-12-4-3-7-17-12/h3-4,7-9,15H,1-2H3
InChIKeyATINTEBZEOOIPX-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol
CID 151992408
2-methoxy-6-methyl-4-(2-thiophen-2-ylethenyl)phenol
CID 54060041
5-[2-(3,4-dihydroxy-5-methoxyphenyl)ethynyl]-2-methoxybenzene-1,3-diol
CID 171920398
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
2-[2-(3-propylphenyl)ethynyl]thiophene
CID 68818674
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
2-[4-[[3,5-bis(2-thiophen-2-ylethynyl)phenyl]methoxy]-2-methylphenoxy]propanoic acid
CID 67267473
1-[3-(2-thiophen-2-ylethynyl)phenyl]hexan-1-one
CID 14349163
4-[2-(3-aminophenyl)ethynyl]-2,6-dimethylphenol
CID 141482059
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650343
5-[2-(3,4-dimethoxyphenyl)ethynyl]benzene-1,3-diol
CID 171920433
2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
CID 167525314

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol (CID 129178295) is 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol is COc1cc(C#Cc2cccs2)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol?
The InChIKey is ATINTEBZEOOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-10-8-11(9-13(16-2)14(10)15)5-6-12-4-3-7-17-12/h3-4,7-9,15H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol?
2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol has a molecular weight of 244.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol is sourced from PubChem (CID 129178295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).