(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C13H18Br2O2S — CID 107969945

IUPAC(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cc(Br)sc2Br)C(C)(C)O1
InChIInChI=1S/C13H18Br2O2S/c1-12(2)6-8(13(3,4)17-12)10(16)7-5-9(14)18-11(7)15/h5,8,10,16H,6H2,1-4H3
InChIKeyLVQUXNAMHGEFQP-UHFFFAOYSA-N
MW398.16 g/mol
LogP4.90
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 107969945) has the molecular formula C13H18Br2O2S and a molecular weight of 398.16 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID107969945
Molecular FormulaC13H18Br2O2S
Molecular Weight398.16 g/mol
Exact Mass395.94
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cc(Br)sc2Br)C(C)(C)O1
InChIInChI=1S/C13H18Br2O2S/c1-12(2)6-8(13(3,4)17-12)10(16)7-5-9(14)18-11(7)15/h5,8,10,16H,6H2,1-4H3
InChIKeyLVQUXNAMHGEFQP-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 107969945) is (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2cc(Br)sc2Br)C(C)(C)O1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is LVQUXNAMHGEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O2S/c1-12(2)6-8(13(3,4)17-12)10(16)7-5-9(14)18-11(7)15/h5,8,10,16H,6H2,1-4H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 398.16 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 107969945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).