(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol

C13H13BrO2S — CID 63365571

IUPAC(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCc2sccc2Br)c1
InChIInChI=1S/C13H13BrO2S/c1-9(15)10-3-2-4-11(7-10)16-8-13-12(14)5-6-17-13/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyUMMYBQDRZWVTGR-SECBINFHSA-N
MW313.22 g/mol
LogP4.14
Rot. Bonds4

About (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol

(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol (PubChem CID 63365571) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
PubChem CID63365571
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCc2sccc2Br)c1
InChIInChI=1S/C13H13BrO2S/c1-9(15)10-3-2-4-11(7-10)16-8-13-12(14)5-6-17-13/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyUMMYBQDRZWVTGR-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

3-bromo-2-[(3-ethoxyphenoxy)methyl]thiophene
CID 55060850
3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
CID 63457538
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78933667
(1S)-1-[3-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323262
(1S)-1-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78932867
1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol (CID 63365571) is (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol is C[C@@H](O)c1cccc(OCc2sccc2Br)c1.
What is the InChIKey of (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol?
The InChIKey is UMMYBQDRZWVTGR-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-9(15)10-3-2-4-11(7-10)16-8-13-12(14)5-6-17-13/h2-7,9,15H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]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-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63365571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).