3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol

C15H17BrO2S — CID 66103561

IUPAC3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrO2S/c1-11(8-17)9-19-10-14-6-7-15(18-14)12-2-4-13(16)5-3-12/h2-7,11,17H,8-10H2,1H3
InChIKeyGQKBPCAHMLSQJF-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.57
Rot. Bonds6

About 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol

3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol (PubChem CID 66103561) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
PubChem CID66103561
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrO2S/c1-11(8-17)9-19-10-14-6-7-15(18-14)12-2-4-13(16)5-3-12/h2-7,11,17H,8-10H2,1H3
InChIKeyGQKBPCAHMLSQJF-UHFFFAOYSA-N
XLogP4.57
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol (CID 66103561) is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol is CC(CO)CSCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is GQKBPCAHMLSQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-11(8-17)9-19-10-14-6-7-15(18-14)12-2-4-13(16)5-3-12/h2-7,11,17H,8-10H2,1H3.
What are the key properties of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 341.27 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).