1-(2-bromophenyl)sulfanylpentan-2-ol

C11H15BrOS — CID 66144436

IUPAC1-(2-bromophenyl)sulfanylpentan-2-ol
SMILESCCCC(O)CSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h3-4,6-7,9,13H,2,5,8H2,1H3
InChIKeyNEZMUUITCRYEDS-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-bromophenyl)sulfanylpentan-2-ol

1-(2-bromophenyl)sulfanylpentan-2-ol (PubChem CID 66144436) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanylpentan-2-ol
PubChem CID66144436
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(2-bromophenyl)sulfanylpentan-2-ol
SMILESCCCC(O)CSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h3-4,6-7,9,13H,2,5,8H2,1H3
InChIKeyNEZMUUITCRYEDS-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanylheptan-2-ol
CID 66144629
1-(2-bromophenyl)sulfanyl-5-methylhex-5-en-2-ol
CID 114473926
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-ol
CID 66145610
1-(2-bromophenyl)sulfanylpent-4-en-2-ol
CID 66145032
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 45158759
1-bromo-2-pentylsulfanylbenzene
CID 91658468
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanylpentan-2-ol?
The IUPAC name of 1-(2-bromophenyl)sulfanylpentan-2-ol (CID 66144436) is 1-(2-bromophenyl)sulfanylpentan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)sulfanylpentan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)sulfanylpentan-2-ol is CCCC(O)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanylpentan-2-ol?
The InChIKey is NEZMUUITCRYEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h3-4,6-7,9,13H,2,5,8H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanylpentan-2-ol?
1-(2-bromophenyl)sulfanylpentan-2-ol has a molecular weight of 275.21 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanylpentan-2-ol is sourced from PubChem (CID 66144436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).