2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid

C10H10Br2O4 — CID 79368033

IUPAC2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1cc(Br)c(Br)o1
InChIInChI=1S/C10H10Br2O4/c11-6-4-7(16-9(6)12)8-5(10(13)14)2-1-3-15-8/h4-5,8H,1-3H2,(H,13,14)
InChIKeyXUVNFGQTLYBXRF-UHFFFAOYSA-N
MW353.99 g/mol
LogP3.36
Rot. Bonds2

About 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid

2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid (PubChem CID 79368033) has the molecular formula C10H10Br2O4 and a molecular weight of 353.99 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid
PubChem CID79368033
Molecular FormulaC10H10Br2O4
Molecular Weight353.99 g/mol
Exact Mass351.89
IUPAC Name2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1cc(Br)c(Br)o1
InChIInChI=1S/C10H10Br2O4/c11-6-4-7(16-9(6)12)8-5(10(13)14)2-1-3-15-8/h4-5,8H,1-3H2,(H,13,14)
InChIKeyXUVNFGQTLYBXRF-UHFFFAOYSA-N
XLogP3.36
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
(2S,3R)-2-(2,4-dichlorophenyl)oxane-3-carboxylic acid
CID 96561046
2-(3-bromo-4-methylphenyl)oxolane-3-carboxylic acid
CID 105411654
2-pyrimidin-4-yloxane-3-carboxylic acid
CID 79368792
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
2-quinolin-2-yloxane-3-carboxylic acid
CID 79367752
2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
CID 79367749
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
2-(2-chloro-6-methoxyphenyl)oxane-3-carboxylic acid
CID 104818912
2-quinolin-8-yloxane-3-carboxylic acid
CID 79368125

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid (CID 79368033) is 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid is O=C(O)C1CCCOC1c1cc(Br)c(Br)o1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid?
The InChIKey is XUVNFGQTLYBXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O4/c11-6-4-7(16-9(6)12)8-5(10(13)14)2-1-3-15-8/h4-5,8H,1-3H2,(H,13,14).
What are the key properties of 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid?
2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid has a molecular weight of 353.99 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid is sourced from PubChem (CID 79368033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).