3-methyl-5-(thiophen-2-ylmethoxy)phenol

C12H12O2S — CID 107680166

IUPAC3-methyl-5-(thiophen-2-ylmethoxy)phenol
SMILESCc1cc(O)cc(OCc2cccs2)c1
InChIInChI=1S/C12H12O2S/c1-9-5-10(13)7-11(6-9)14-8-12-3-2-4-15-12/h2-7,13H,8H2,1H3
InChIKeySMRVAFPKFIHNGK-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-(thiophen-2-ylmethoxy)phenol

3-methyl-5-(thiophen-2-ylmethoxy)phenol (PubChem CID 107680166) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-methyl-5-(thiophen-2-ylmethoxy)phenol.

Molecular Properties

Compound Name3-methyl-5-(thiophen-2-ylmethoxy)phenol
PubChem CID107680166
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name3-methyl-5-(thiophen-2-ylmethoxy)phenol
SMILESCc1cc(O)cc(OCc2cccs2)c1
InChIInChI=1S/C12H12O2S/c1-9-5-10(13)7-11(6-9)14-8-12-3-2-4-15-12/h2-7,13H,8H2,1H3
InChIKeySMRVAFPKFIHNGK-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethoxy)phenol
CID 43143563
2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene
CID 135169401
7-(thiophen-2-ylmethoxy)naphthalen-2-ol
CID 43326496
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
3-propoxy-5-(thiophen-2-ylmethoxy)aniline
CID 80747853
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
3-fluoro-5-(thiophen-2-ylmethoxy)aniline
CID 80751724
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
CID 21074228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiophen-2-ylmethoxy)phenol?
The IUPAC name of 3-methyl-5-(thiophen-2-ylmethoxy)phenol (CID 107680166) is 3-methyl-5-(thiophen-2-ylmethoxy)phenol.
What is the SMILES notation for 3-methyl-5-(thiophen-2-ylmethoxy)phenol?
The canonical SMILES for 3-methyl-5-(thiophen-2-ylmethoxy)phenol is Cc1cc(O)cc(OCc2cccs2)c1.
What is the InChIKey of 3-methyl-5-(thiophen-2-ylmethoxy)phenol?
The InChIKey is SMRVAFPKFIHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-9-5-10(13)7-11(6-9)14-8-12-3-2-4-15-12/h2-7,13H,8H2,1H3.
What are the key properties of 3-methyl-5-(thiophen-2-ylmethoxy)phenol?
3-methyl-5-(thiophen-2-ylmethoxy)phenol has a molecular weight of 220.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiophen-2-ylmethoxy)phenol is sourced from PubChem (CID 107680166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).