1-(4-bromothiophen-3-yl)-2-phenylethanol

C12H11BrOS — CID 79596144

IUPAC1-(4-bromothiophen-3-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C12H11BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2
InChIKeyCMYCJKNTONFHCW-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-phenylethanol

1-(4-bromothiophen-3-yl)-2-phenylethanol (PubChem CID 79596144) has the molecular formula C12H11BrOS and a molecular weight of 283.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-phenylethanol
PubChem CID79596144
Molecular FormulaC12H11BrOS
Molecular Weight283.19 g/mol
Exact Mass281.97
IUPAC Name1-(4-bromothiophen-3-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C12H11BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2
InChIKeyCMYCJKNTONFHCW-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
CID 105113172
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1-(4-bromothiophen-3-yl)-2-phenylmethoxyethanamine
CID 131025395
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
1-(4-bromothiophen-3-yl)dodecan-1-ol
CID 115819993

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-phenylethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-phenylethanol (CID 79596144) is 1-(4-bromothiophen-3-yl)-2-phenylethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-phenylethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-phenylethanol is OC(Cc1ccccc1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-phenylethanol?
The InChIKey is CMYCJKNTONFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS/c13-11-8-15-7-10(11)12(14)6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-phenylethanol?
1-(4-bromothiophen-3-yl)-2-phenylethanol has a molecular weight of 283.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-phenylethanol is sourced from PubChem (CID 79596144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).