(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

Analyze (3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
CID 130506442
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 116769675
1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
CID 116753892
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280

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).