(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol

C11H15BrO2S — CID 80684689

IUPAC(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
SMILESCC1(C(O)c2cscc2Br)CCCCO1
InChIInChI=1S/C11H15BrO2S/c1-11(4-2-3-5-14-11)10(13)8-6-15-7-9(8)12/h6-7,10,13H,2-5H2,1H3
InChIKeySAPHKMLJAYDWFO-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.50
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol

(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol (PubChem CID 80684689) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
PubChem CID80684689
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
SMILESCC1(C(O)c2cscc2Br)CCCCO1
InChIInChI=1S/C11H15BrO2S/c1-11(4-2-3-5-14-11)10(13)8-6-15-7-9(8)12/h6-7,10,13H,2-5H2,1H3
InChIKeySAPHKMLJAYDWFO-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol (CID 80684689) is (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol is CC1(C(O)c2cscc2Br)CCCCO1.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol?
The InChIKey is SAPHKMLJAYDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-11(4-2-3-5-14-11)10(13)8-6-15-7-9(8)12/h6-7,10,13H,2-5H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol?
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol has a molecular weight of 291.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol is sourced from PubChem (CID 80684689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).