1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol

C10H13BrOS — CID 62692341

IUPAC1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1ccccc1Br
InChIInChI=1S/C10H13BrOS/c1-13-7-9(12)6-8-4-2-3-5-10(8)11/h2-5,9,12H,6-7H2,1H3
InChIKeyUASUVEXGYBZJHW-UHFFFAOYSA-N
MW261.18 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol

1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol (PubChem CID 62692341) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
PubChem CID62692341
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1ccccc1Br
InChIInChI=1S/C10H13BrOS/c1-13-7-9(12)6-8-4-2-3-5-10(8)11/h2-5,9,12H,6-7H2,1H3
InChIKeyUASUVEXGYBZJHW-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-1-(2-bromophenyl)pentan-2-ol
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1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
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1-(2-bromophenyl)-4-ethylhexane-2,3-diol
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1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol (CID 62692341) is 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol is CSCC(O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol?
The InChIKey is UASUVEXGYBZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-13-7-9(12)6-8-4-2-3-5-10(8)11/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol?
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol has a molecular weight of 261.18 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 62692341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).