3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol

C13H14O3S — CID 117240147

IUPAC3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
SMILESCc1ccc(C(O)COc2cccc(O)c2)s1
InChIInChI=1S/C13H14O3S/c1-9-5-6-13(17-9)12(15)8-16-11-4-2-3-10(14)7-11/h2-7,12,14-15H,8H2,1H3
InChIKeyCHZKXWZCZPFGFW-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol

3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol (PubChem CID 117240147) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
PubChem CID117240147
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Name3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
SMILESCc1ccc(C(O)COc2cccc(O)c2)s1
InChIInChI=1S/C13H14O3S/c1-9-5-6-13(17-9)12(15)8-16-11-4-2-3-10(14)7-11/h2-7,12,14-15H,8H2,1H3
InChIKeyCHZKXWZCZPFGFW-UHFFFAOYSA-N
XLogP2.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-hydroxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241060
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117239992
3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol?
The IUPAC name of 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol (CID 117240147) is 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol.
What is the SMILES notation for 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol?
The canonical SMILES for 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol is Cc1ccc(C(O)COc2cccc(O)c2)s1.
What is the InChIKey of 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol?
The InChIKey is CHZKXWZCZPFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-9-5-6-13(17-9)12(15)8-16-11-4-2-3-10(14)7-11/h2-7,12,14-15H,8H2,1H3.
What are the key properties of 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol?
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol has a molecular weight of 250.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol is sourced from PubChem (CID 117240147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).