[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol

C11H15BrO2S — CID 102845724

IUPAC[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
SMILESCc1sc(C2OCCCC2CO)cc1Br
InChIInChI=1S/C11H15BrO2S/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11,13H,2-4,6H2,1H3
InChIKeyKQBIVLXDLXKFFS-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.28
Rot. Bonds2

About [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol

[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol (PubChem CID 102845724) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
PubChem CID102845724
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
SMILESCc1sc(C2OCCCC2CO)cc1Br
InChIInChI=1S/C11H15BrO2S/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11,13H,2-4,6H2,1H3
InChIKeyKQBIVLXDLXKFFS-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
[2-(3,5-dimethylphenyl)oxan-3-yl]methanol
CID 79372718
N-[[2-(4,5-dibromothiophen-2-yl)oxan-3-yl]methyl]propan-1-amine
CID 102845700
[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
CID 79365790
[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
CID 79373941
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
[2-(3,4,5-trifluorophenyl)oxan-3-yl]methanol
CID 79372721
[2-(2-bromo-4,5-dimethoxyphenyl)oxolan-3-yl]methanol
CID 79372971
[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
CID 79595799
[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol
CID 79364790
[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol
CID 126978566

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol?
The IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol (CID 102845724) is [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol?
The canonical SMILES for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol is Cc1sc(C2OCCCC2CO)cc1Br.
What is the InChIKey of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol?
The InChIKey is KQBIVLXDLXKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-7-9(12)5-10(15-7)11-8(6-13)3-2-4-14-11/h5,8,11,13H,2-4,6H2,1H3.
What are the key properties of [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol?
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol has a molecular weight of 291.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol is sourced from PubChem (CID 102845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).