2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol

C15H17BrOS — CID 79007567

IUPAC2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrOS/c1-2-15(17,10-12-6-4-3-5-7-12)11-14-13(16)8-9-18-14/h3-9,17H,2,10-11H2,1H3
InChIKeyCJAFGXIIDYUMJN-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.44
Rot. Bonds5

About 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol

2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol (PubChem CID 79007567) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
PubChem CID79007567
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrOS/c1-2-15(17,10-12-6-4-3-5-7-12)11-14-13(16)8-9-18-14/h3-9,17H,2,10-11H2,1H3
InChIKeyCJAFGXIIDYUMJN-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
azane;3-benzylpentan-3-ol
CID 173295411
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2-[2,2-bis(chloromethyl)butyl]-3-bromothiophene
CID 79448344
3-benzyl-5-methylhexan-3-ol
CID 79008448
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
2-[2,2-bis(bromomethyl)pentyl]-3-bromothiophene
CID 79453126
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309
2-(benzylsulfanylmethyl)-3-bromothiophene
CID 63458237

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol?
The IUPAC name of 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol (CID 79007567) is 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol.
What is the SMILES notation for 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol?
The canonical SMILES for 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol is CCC(O)(Cc1ccccc1)Cc1sccc1Br.
What is the InChIKey of 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol?
The InChIKey is CJAFGXIIDYUMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-2-15(17,10-12-6-4-3-5-7-12)11-14-13(16)8-9-18-14/h3-9,17H,2,10-11H2,1H3.
What are the key properties of 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol?
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol has a molecular weight of 325.27 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol is sourced from PubChem (CID 79007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).