(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol

C11H15BrO4 — CID 116754061

IUPAC(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)c2occc2Br)CCOCC1
InChIInChI=1S/C11H15BrO4/c1-14-11(3-6-15-7-4-11)10(13)9-8(12)2-5-16-9/h2,5,10,13H,3-4,6-7H2,1H3
InChIKeyJHPHRZUJEXTVAD-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.27
Rot. Bonds3

About (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol

(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol (PubChem CID 116754061) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
PubChem CID116754061
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)c2occc2Br)CCOCC1
InChIInChI=1S/C11H15BrO4/c1-14-11(3-6-15-7-4-11)10(13)9-8(12)2-5-16-9/h2,5,10,13H,3-4,6-7H2,1H3
InChIKeyJHPHRZUJEXTVAD-UHFFFAOYSA-N
XLogP2.27
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol (CID 116754061) is (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol is COC1(C(O)c2occc2Br)CCOCC1.
What is the InChIKey of (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol?
The InChIKey is JHPHRZUJEXTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-14-11(3-6-15-7-4-11)10(13)9-8(12)2-5-16-9/h2,5,10,13H,3-4,6-7H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol?
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol has a molecular weight of 291.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol is sourced from PubChem (CID 116754061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).