2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol

C16H14O2S — CID 117179784

IUPAC2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
SMILESCc1ccccc1OCc1cc2ccc(O)cc2s1
InChIInChI=1S/C16H14O2S/c1-11-4-2-3-5-15(11)18-10-14-8-12-6-7-13(17)9-16(12)19-14/h2-9,17H,10H2,1H3
InChIKeyTYQFXPUGQDLQIH-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.49
Rot. Bonds3

About 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol

2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol (PubChem CID 117179784) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
PubChem CID117179784
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
SMILESCc1ccccc1OCc1cc2ccc(O)cc2s1
InChIInChI=1S/C16H14O2S/c1-11-4-2-3-5-15(11)18-10-14-8-12-6-7-13(17)9-16(12)19-14/h2-9,17H,10H2,1H3
InChIKeyTYQFXPUGQDLQIH-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
CID 117184783
6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene
CID 117179791
[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
CID 117179697
2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
CID 75452842
2-(2-aminoethyl)-1-benzothiophen-6-ol
CID 82605292
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
CID 117174239
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
2-[(4-methylphenoxy)methyl]-1-benzothiophene-6-carboxylic acid
CID 117179916
2-phenyl-1-benzothiophen-6-ol
CID 11117751
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol (CID 117179784) is 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol is Cc1ccccc1OCc1cc2ccc(O)cc2s1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol?
The InChIKey is TYQFXPUGQDLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-11-4-2-3-5-15(11)18-10-14-8-12-6-7-13(17)9-16(12)19-14/h2-9,17H,10H2,1H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol?
2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol has a molecular weight of 270.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol is sourced from PubChem (CID 117179784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).