1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol

C13H13BrO2S — CID 107783479

IUPAC1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
SMILESCc1occc1Sc1ccc(Br)cc1C(C)O
InChIInChI=1S/C13H13BrO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3
InChIKeyKFIICGOQTJDSNK-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.56
Rot. Bonds3

About 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol

1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol (PubChem CID 107783479) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
PubChem CID107783479
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
SMILESCc1occc1Sc1ccc(Br)cc1C(C)O
InChIInChI=1S/C13H13BrO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3
InChIKeyKFIICGOQTJDSNK-UHFFFAOYSA-N
XLogP4.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 114001142
4-(1-hydroxyethyl)-3-(2-methylfuran-3-yl)sulfanylbenzonitrile
CID 114001143
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
1-[5-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82973884
1-[5-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82972733
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
3-[4-bromo-2-(1-hydroxyethyl)phenyl]sulfanylpropane-1,2-diol
CID 82974086
1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol
CID 82973686
1-[5-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethanol
CID 82973304
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
CID 82973772
1-[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]ethanol
CID 82973582

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol (CID 107783479) is 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol is Cc1occc1Sc1ccc(Br)cc1C(C)O.
What is the InChIKey of 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
The InChIKey is KFIICGOQTJDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-8(15)11-7-10(14)3-4-13(11)17-12-5-6-16-9(12)2/h3-8,15H,1-2H3.
What are the key properties of 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol?
1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol has a molecular weight of 313.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 107783479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).