(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol

C14H16O2S — CID 78956541

IUPAC(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCc2ccsc2)c1
InChIInChI=1S/C14H16O2S/c1-11(15)13-3-2-4-14(9-13)16-7-5-12-6-8-17-10-12/h2-4,6,8-11,15H,5,7H2,1H3/t11-/m1/s1
InChIKeyLFGIQQUYVYIOEZ-LLVKDONJSA-N
MW248.35 g/mol
LogP3.42
Rot. Bonds5

About (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol

(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol (PubChem CID 78956541) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
PubChem CID78956541
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCc2ccsc2)c1
InChIInChI=1S/C14H16O2S/c1-11(15)13-3-2-4-14(9-13)16-7-5-12-6-8-17-10-12/h2-4,6,8-11,15H,5,7H2,1H3/t11-/m1/s1
InChIKeyLFGIQQUYVYIOEZ-LLVKDONJSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 78956495
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol (CID 78956541) is (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCc2ccsc2)c1.
What is the InChIKey of (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol?
The InChIKey is LFGIQQUYVYIOEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16O2S/c1-11(15)13-3-2-4-14(9-13)16-7-5-12-6-8-17-10-12/h2-4,6,8-11,15H,5,7H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol?
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol has a molecular weight of 248.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 78956541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).