3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol

C16H16O3S — CID 107709792

IUPAC3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COc2ccc(CCO)cc2)s1
InChIInChI=1S/C16H16O3S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,17-18H,9-12H2
InChIKeyLNBFTHCELQMULD-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.21
Rot. Bonds5

About 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol

3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 107709792) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID107709792
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(COc2ccc(CCO)cc2)s1
InChIInChI=1S/C16H16O3S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,17-18H,9-12H2
InChIKeyLNBFTHCELQMULD-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

2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol
CID 107709786
3-[4-[[4-(2-hydroxyethyl)phenoxy]methyl]phenyl]prop-2-yn-1-ol
CID 107709800
3-[5-[(3-fluoro-4-methylphenoxy)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 107170214
3-[5-[(3-ethoxyphenoxy)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 62335600
4-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107709793
3-[5-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 82956913
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
3-[5-[(2-chloro-5-nitrophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63991790
3-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methylsulfanyl]propan-1-ol
CID 66128100
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351
3-[5-[[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 46996370
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
CID 54970199

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol (CID 107709792) is 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc(COc2ccc(CCO)cc2)s1.
What is the InChIKey of 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is LNBFTHCELQMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,17-18H,9-12H2.
What are the key properties of 3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-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-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 107709792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).