1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol

C10H13BrO2S — CID 82973483

IUPAC1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1SCCO
InChIInChI=1S/C10H13BrO2S/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7,12-13H,4-5H2,1H3
InChIKeyJOHNIFHBTXSHFC-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol

1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol (PubChem CID 82973483) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
PubChem CID82973483
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1SCCO
InChIInChI=1S/C10H13BrO2S/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7,12-13H,4-5H2,1H3
InChIKeyJOHNIFHBTXSHFC-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]ethanol
CID 82973116
1-[4-bromo-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750897
1-[4-bromo-2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496624
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[5-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethanol
CID 82973304
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
CID 82972633
3-[4-bromo-2-(1-hydroxyethyl)phenyl]sulfanylpropane-1,2-diol
CID 82974086
2-[5-bromo-2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807694
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
CID 82973779
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
CID 82972642
1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
CID 84707354
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol (CID 82973483) is 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol is CC(O)c1ccc(Br)cc1SCCO.
What is the InChIKey of 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol?
The InChIKey is JOHNIFHBTXSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7,12-13H,4-5H2,1H3.
What are the key properties of 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol?
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol has a molecular weight of 277.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 82973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).