1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol

C14H14Br2OS — CID 55198667

IUPAC1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
SMILESCC(C)(c1ccccc1)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2OS/c1-14(2,9-6-4-3-5-7-9)12(17)10-8-11(15)18-13(10)16/h3-8,12,17H,1-2H3
InChIKeyVFEATHDWTCWJGZ-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.28
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol

1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol (PubChem CID 55198667) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
PubChem CID55198667
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
SMILESCC(C)(c1ccccc1)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2OS/c1-14(2,9-6-4-3-5-7-9)12(17)10-8-11(15)18-13(10)16/h3-8,12,17H,1-2H3
InChIKeyVFEATHDWTCWJGZ-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol (CID 55198667) is 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol is CC(C)(c1ccccc1)C(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol?
The InChIKey is VFEATHDWTCWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-14(2,9-6-4-3-5-7-9)12(17)10-8-11(15)18-13(10)16/h3-8,12,17H,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol?
1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol has a molecular weight of 390.14 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 55198667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).