[6-(3-bromofuran-2-yl)oxan-2-yl]methanol

C10H13BrO3 — CID 130584323

IUPAC[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
SMILESOCC1CCCC(c2occc2Br)O1
InChIInChI=1S/C10H13BrO3/c11-8-4-5-13-10(8)9-3-1-2-7(6-12)14-9/h4-5,7,9,12H,1-3,6H2
InChIKeyVBNLHTDAAKPGPR-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.64
Rot. Bonds2

About [6-(3-bromofuran-2-yl)oxan-2-yl]methanol

[6-(3-bromofuran-2-yl)oxan-2-yl]methanol (PubChem CID 130584323) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is [6-(3-bromofuran-2-yl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
PubChem CID130584323
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
SMILESOCC1CCCC(c2occc2Br)O1
InChIInChI=1S/C10H13BrO3/c11-8-4-5-13-10(8)9-3-1-2-7(6-12)14-9/h4-5,7,9,12H,1-3,6H2
InChIKeyVBNLHTDAAKPGPR-UHFFFAOYSA-N
XLogP2.64
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-bromofuran-2-yl)oxan-2-yl]methanol?
The IUPAC name of [6-(3-bromofuran-2-yl)oxan-2-yl]methanol (CID 130584323) is [6-(3-bromofuran-2-yl)oxan-2-yl]methanol.
What is the SMILES notation for [6-(3-bromofuran-2-yl)oxan-2-yl]methanol?
The canonical SMILES for [6-(3-bromofuran-2-yl)oxan-2-yl]methanol is OCC1CCCC(c2occc2Br)O1.
What is the InChIKey of [6-(3-bromofuran-2-yl)oxan-2-yl]methanol?
The InChIKey is VBNLHTDAAKPGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c11-8-4-5-13-10(8)9-3-1-2-7(6-12)14-9/h4-5,7,9,12H,1-3,6H2.
What are the key properties of [6-(3-bromofuran-2-yl)oxan-2-yl]methanol?
[6-(3-bromofuran-2-yl)oxan-2-yl]methanol has a molecular weight of 261.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromofuran-2-yl)oxan-2-yl]methanol is sourced from PubChem (CID 130584323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).