4-(furan-2-yl)-3-methoxyoxan-4-ol

C10H14O4 — CID 127002501

IUPAC4-(furan-2-yl)-3-methoxyoxan-4-ol
SMILESCOC1COCCC1(O)c1ccco1
InChIInChI=1S/C10H14O4/c1-12-9-7-13-6-4-10(9,11)8-3-2-5-14-8/h2-3,5,9,11H,4,6-7H2,1H3
InChIKeyYRWVUJPPQFSIQA-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.90
Rot. Bonds2

About 4-(furan-2-yl)-3-methoxyoxan-4-ol

4-(furan-2-yl)-3-methoxyoxan-4-ol (PubChem CID 127002501) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methoxyoxan-4-ol.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methoxyoxan-4-ol
PubChem CID127002501
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-(furan-2-yl)-3-methoxyoxan-4-ol
SMILESCOC1COCCC1(O)c1ccco1
InChIInChI=1S/C10H14O4/c1-12-9-7-13-6-4-10(9,11)8-3-2-5-14-8/h2-3,5,9,11H,4,6-7H2,1H3
InChIKeyYRWVUJPPQFSIQA-UHFFFAOYSA-N
XLogP0.90
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methoxyoxan-4-ol?
The IUPAC name of 4-(furan-2-yl)-3-methoxyoxan-4-ol (CID 127002501) is 4-(furan-2-yl)-3-methoxyoxan-4-ol.
What is the SMILES notation for 4-(furan-2-yl)-3-methoxyoxan-4-ol?
The canonical SMILES for 4-(furan-2-yl)-3-methoxyoxan-4-ol is COC1COCCC1(O)c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-3-methoxyoxan-4-ol?
The InChIKey is YRWVUJPPQFSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-12-9-7-13-6-4-10(9,11)8-3-2-5-14-8/h2-3,5,9,11H,4,6-7H2,1H3.
What are the key properties of 4-(furan-2-yl)-3-methoxyoxan-4-ol?
4-(furan-2-yl)-3-methoxyoxan-4-ol has a molecular weight of 198.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methoxyoxan-4-ol is sourced from PubChem (CID 127002501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).