(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol

C14H16O2S — CID 78951125

IUPAC(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCc1cccs1
InChIInChI=1S/C14H16O2S/c1-11(15)13-6-2-3-7-14(13)16-9-8-12-5-4-10-17-12/h2-7,10-11,15H,8-9H2,1H3/t11-/m0/s1
InChIKeyFRXNDIXQZNZDDK-NSHDSACASA-N
MW248.35 g/mol
LogP3.42
Rot. Bonds5

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

(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol (PubChem CID 78951125) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
PubChem CID78951125
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCc1cccs1
InChIInChI=1S/C14H16O2S/c1-11(15)13-6-2-3-7-14(13)16-9-8-12-5-4-10-17-12/h2-7,10-11,15H,8-9H2,1H3/t11-/m0/s1
InChIKeyFRXNDIXQZNZDDK-NSHDSACASA-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

1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 82002105
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 63774373
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol (CID 78951125) is (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol is C[C@H](O)c1ccccc1OCCc1cccs1.
What is the InChIKey of (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
The InChIKey is FRXNDIXQZNZDDK-NSHDSACASA-N. The full InChI is InChI=1S/C14H16O2S/c1-11(15)13-6-2-3-7-14(13)16-9-8-12-5-4-10-17-12/h2-7,10-11,15H,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol?
(1S)-1-[2-(2-thiophen-2-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 (1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 78951125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).