1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol

C12H17BrOS — CID 103089901

IUPAC1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccccc1Br
InChIInChI=1S/C12H17BrOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyIOKGNASFICDZTL-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol

1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol (PubChem CID 103089901) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol
PubChem CID103089901
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccccc1Br
InChIInChI=1S/C12H17BrOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyIOKGNASFICDZTL-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
(2S)-2-amino-N-[1-(2-bromophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119341140
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
1-bromo-2-(methylsulfanylmethyl)benzene
CID 4108138

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol (CID 103089901) is 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol is CSCCCC(O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is IOKGNASFICDZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol?
1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 289.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 103089901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).