2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol

C16H17BrOS — CID 79455210

IUPAC2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
SMILESOCC(CCSc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H17BrOS/c17-16-9-5-4-8-15(16)13(12-18)10-11-19-14-6-2-1-3-7-14/h1-9,13,18H,10-12H2
InChIKeyNBRUFRTZVCHAKV-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.71
Rot. Bonds6

About 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol

2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol (PubChem CID 79455210) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
PubChem CID79455210
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
SMILESOCC(CCSc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H17BrOS/c17-16-9-5-4-8-15(16)13(12-18)10-11-19-14-6-2-1-3-7-14/h1-9,13,18H,10-12H2
InChIKeyNBRUFRTZVCHAKV-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
CID 79223637
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-amine
CID 79227973
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79454525
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol (CID 79455210) is 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol is OCC(CCSc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol?
The InChIKey is NBRUFRTZVCHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c17-16-9-5-4-8-15(16)13(12-18)10-11-19-14-6-2-1-3-7-14/h1-9,13,18H,10-12H2.
What are the key properties of 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol?
2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol has a molecular weight of 337.28 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol is sourced from PubChem (CID 79455210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).