(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol

C13H13BrO2S — CID 102948585

IUPAC(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCc1cccs1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeySCHCCCSKGWCNNJ-SECBINFHSA-N
MW313.22 g/mol
LogP4.14
Rot. Bonds4

About (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol

(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol (PubChem CID 102948585) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
PubChem CID102948585
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCc1cccs1
InChIInChI=1S/C13H13BrO2S/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeySCHCCCSKGWCNNJ-SECBINFHSA-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

(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186
(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 102948904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol (CID 102948585) is (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCc1cccs1.
What is the InChIKey of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is SCHCCCSKGWCNNJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[4-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 (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102948585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).