2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol

C16H17NO2S — CID 107709786

IUPAC2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol
SMILESNCC#Cc1ccc(COc2ccc(CCO)cc2)s1
InChIInChI=1S/C16H17NO2S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,18H,9-12,17H2
InChIKeyCNDYRAAVSYSITC-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.17
Rot. Bonds5

About 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol

2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol (PubChem CID 107709786) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol
PubChem CID107709786
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol
SMILESNCC#Cc1ccc(COc2ccc(CCO)cc2)s1
InChIInChI=1S/C16H17NO2S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,18H,9-12,17H2
InChIKeyCNDYRAAVSYSITC-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.17
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-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 107709792
4-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107709793
3-[5-[(2,3-difluorophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 63036793
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
3-[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 66275053
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 106924402
3-[5-(4,4,4-trifluorobutoxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 82787654
3-[5-[(2-bromo-6-nitrophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 81496197
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol (CID 107709786) is 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol is NCC#Cc1ccc(COc2ccc(CCO)cc2)s1.
What is the InChIKey of 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol?
The InChIKey is CNDYRAAVSYSITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-10-1-2-15-7-8-16(20-15)12-19-14-5-3-13(4-6-14)9-11-18/h3-8,18H,9-12,17H2.
What are the key properties of 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol?
2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol has a molecular weight of 287.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 107709786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).