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

C13H13BrO2S — CID 55189544

IUPAC(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1cccs1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-7-10(14)4-5-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyOPBNDTQBILVDTG-VIFPVBQESA-N
MW313.22 g/mol
LogP4.14
Rot. Bonds4

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

(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol (PubChem CID 55189544) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
PubChem CID55189544
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1cccs1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-7-10(14)4-5-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyOPBNDTQBILVDTG-VIFPVBQESA-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-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
(1R)-1-[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 104890213
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
CID 62381389
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol (CID 55189544) is (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol is C[C@H](O)c1cc(Br)ccc1OCc1cccs1.
What is the InChIKey of (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is OPBNDTQBILVDTG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-9(15)12-7-10(14)4-5-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
(1S)-1-[5-bromo-2-(thiophen-2-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 (1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 55189544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).