1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol

C13H14O2S — CID 43504299

IUPAC1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C13H14O2S/c1-10(14)11-4-2-5-12(8-11)15-9-13-6-3-7-16-13/h2-8,10,14H,9H2,1H3
InChIKeyAVKKOVDNTIWMCQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.38
Rot. Bonds4

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

1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol (PubChem CID 43504299) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
PubChem CID43504299
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C13H14O2S/c1-10(14)11-4-2-5-12(8-11)15-9-13-6-3-7-16-13/h2-8,10,14H,9H2,1H3
InChIKeyAVKKOVDNTIWMCQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
(3R)-3-hydroxy-3-[3-(thiophen-2-ylmethoxy)phenyl]propanenitrile
CID 90406404
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol (CID 43504299) is 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol is CC(O)c1cccc(OCc2cccs2)c1.
What is the InChIKey of 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is AVKKOVDNTIWMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-10(14)11-4-2-5-12(8-11)15-9-13-6-3-7-16-13/h2-8,10,14H,9H2,1H3.
What are the key properties of 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol?
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol has a molecular weight of 234.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 43504299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).