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

C10H12Br2O2S — CID 79762717

IUPAC(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6,9,13H,2-3H2,1H3
InChIKeyVHMBZFGEBBQDGB-UHFFFAOYSA-N
MW356.08 g/mol
LogP3.73
Rot. Bonds2

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

(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol (PubChem CID 79762717) has the molecular formula C10H12Br2O2S and a molecular weight of 356.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
PubChem CID79762717
Molecular FormulaC10H12Br2O2S
Molecular Weight356.08 g/mol
Exact Mass353.89
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6,9,13H,2-3H2,1H3
InChIKeyVHMBZFGEBBQDGB-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol
CID 107969704
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79758228
6-[(2,5-dibromothiophen-3-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 43345088
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 81153940
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol (CID 79762717) is (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol is CC1OCCC1C(O)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is VHMBZFGEBBQDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6,9,13H,2-3H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 356.08 g/mol, XLogP of 3.73, 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-methyloxolan-3-yl)methanol is sourced from PubChem (CID 79762717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).