2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol

C13H14O3S — CID 117246123

IUPAC2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
SMILESOc1ccccc1OCC(O)Cc1cccs1
InChIInChI=1S/C13H14O3S/c14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)15/h1-7,10,14-15H,8-9H2
InChIKeyOQBDCSMFHYYEED-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol

2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol (PubChem CID 117246123) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol.

Molecular Properties

Compound Name2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
PubChem CID117246123
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Name2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
SMILESOc1ccccc1OCC(O)Cc1cccs1
InChIInChI=1S/C13H14O3S/c14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)15/h1-7,10,14-15H,8-9H2
InChIKeyOQBDCSMFHYYEED-UHFFFAOYSA-N
XLogP2.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxybutoxy)phenol
CID 58593134
(2-hydroxyphenyl) 2-thiophen-2-ylacetate
CID 91700994
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
CID 105465740
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412942
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13096685
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007797
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol?
The IUPAC name of 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol (CID 117246123) is 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol.
What is the SMILES notation for 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol?
The canonical SMILES for 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol is Oc1ccccc1OCC(O)Cc1cccs1.
What is the InChIKey of 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol?
The InChIKey is OQBDCSMFHYYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c14-10(8-11-4-3-7-17-11)9-16-13-6-2-1-5-12(13)15/h1-7,10,14-15H,8-9H2.
What are the key properties of 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol?
2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol has a molecular weight of 250.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol is sourced from PubChem (CID 117246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).