2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol

C17H19BrOS — CID 79223637

IUPAC2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
SMILESOCC(CCSc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrOS/c18-17-9-5-4-6-15(17)12-14(13-19)10-11-20-16-7-2-1-3-8-16/h1-9,14,19H,10-13H2
InChIKeyYEZIAQCJFIDUAQ-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.78
Rot. Bonds7

About 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol

2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol (PubChem CID 79223637) has the molecular formula C17H19BrOS and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
PubChem CID79223637
Molecular FormulaC17H19BrOS
Molecular Weight351.31 g/mol
Exact Mass350.03
IUPAC Name2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
SMILESOCC(CCSc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrOS/c18-17-9-5-4-6-15(17)12-14(13-19)10-11-20-16-7-2-1-3-8-16/h1-9,14,19H,10-13H2
InChIKeyYEZIAQCJFIDUAQ-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-amine
CID 79227973
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
CID 79455210
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037857
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625
1-bromo-2-[2-(chloromethyl)-4-phenoxybutyl]benzene
CID 66049907

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol (CID 79223637) is 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol is OCC(CCSc1ccccc1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol?
The InChIKey is YEZIAQCJFIDUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrOS/c18-17-9-5-4-6-15(17)12-14(13-19)10-11-20-16-7-2-1-3-8-16/h1-9,14,19H,10-13H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol?
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol has a molecular weight of 351.31 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol is sourced from PubChem (CID 79223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).