(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol

C13H12BrClO2S — CID 78931079

IUPAC(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCc1sccc1Br
InChIInChI=1S/C13H12BrClO2S/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8,16H,7H2,1H3/t8-/m1/s1
InChIKeyWBXVGILGKVGXAT-MRVPVSSYSA-N
MW347.66 g/mol
LogP4.80
Rot. Bonds4

About (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol

(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol (PubChem CID 78931079) has the molecular formula C13H12BrClO2S and a molecular weight of 347.66 g/mol. Its IUPAC name is (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
PubChem CID78931079
Molecular FormulaC13H12BrClO2S
Molecular Weight347.66 g/mol
Exact Mass345.94
IUPAC Name(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCc1sccc1Br
InChIInChI=1S/C13H12BrClO2S/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8,16H,7H2,1H3/t8-/m1/s1
InChIKeyWBXVGILGKVGXAT-MRVPVSSYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
CID 63366655
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol (CID 78931079) is (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OCc1sccc1Br.
What is the InChIKey of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol?
The InChIKey is WBXVGILGKVGXAT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12BrClO2S/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8,16H,7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol?
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol has a molecular weight of 347.66 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol is sourced from PubChem (CID 78931079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).