(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

C11H15BrOS — CID 78951403

IUPAC(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C11H15BrOS/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-8,13H,1-3H3/t8-/m1/s1
InChIKeyPOXYFMLXBNYTDF-MRVPVSSYSA-N
MW275.21 g/mol
LogP4.00
Rot. Bonds3

About (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 78951403) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
PubChem CID78951403
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C11H15BrOS/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-8,13H,1-3H3/t8-/m1/s1
InChIKeyPOXYFMLXBNYTDF-MRVPVSSYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[2-bromo-4-(1-hydroxyethyl)phenyl]sulfanyl-2-methylpropan-1-ol
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2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2-fluoro-N-methylethanamine
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1-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (CID 78951403) is (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccc([C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is POXYFMLXBNYTDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-8,13H,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol has a molecular weight of 275.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).