3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol

C16H16O3S — CID 107713889

IUPAC3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1COc1ccccc1CCO
InChIInChI=1S/C16H16O3S/c17-9-3-5-14-8-11-20-16(14)12-19-15-6-2-1-4-13(15)7-10-18/h1-2,4,6,8,11,17-18H,7,9-10,12H2
InChIKeyCQVKHFVOWGELJL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.21
Rot. Bonds5

About 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 107713889) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID107713889
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1COc1ccccc1CCO
InChIInChI=1S/C16H16O3S/c17-9-3-5-14-8-11-20-16(14)12-19-15-6-2-1-4-13(15)7-10-18/h1-2,4,6,8,11,17-18H,7,9-10,12H2
InChIKeyCQVKHFVOWGELJL-UHFFFAOYSA-N
XLogP2.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-fluorophenyl)methoxymethyl]thiophen-3-yl]prop-2-yn-1-ol
CID 63935339
3-[2-[(5-chloro-2-nitrophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 62306222
3-[2-[(2-bromo-5-nitrophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 103012058
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 102722672
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140
3-[5-[[2-(hydroxymethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 55245412
3-[2-(3,3-dimethylbutoxymethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 66224239
3-[2-[(3-chloro-2-fluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 116689851
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 107713889) is 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1ccsc1COc1ccccc1CCO.
What is the InChIKey of 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is CQVKHFVOWGELJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c17-9-3-5-14-8-11-20-16(14)12-19-15-6-2-1-4-13(15)7-10-18/h1-2,4,6,8,11,17-18H,7,9-10,12H2.
What are the key properties of 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 107713889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).