1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol

C13H13BrO2S — CID 62381389

IUPAC1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1ccsc1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8-9,15H,7H2,1H3
InChIKeyFKYWYZTXIVYCIS-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol

1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol (PubChem CID 62381389) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
PubChem CID62381389
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1ccsc1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8-9,15H,7H2,1H3
InChIKeyFKYWYZTXIVYCIS-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1R)-1-[5-bromo-3-nitro-2-(thiophen-3-ylmethoxy)phenyl]ethanol
CID 104890811

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol (CID 62381389) is 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1OCc1ccsc1.
What is the InChIKey of 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol?
The InChIKey is FKYWYZTXIVYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8-9,15H,7H2,1H3.
What are the key properties of 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol?
1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol has a molecular weight of 313.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 62381389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).