3-(hydroxymethyl)cyclopenta[b]furan-2-one

C8H6O3 — CID 23338125

IUPAC3-(hydroxymethyl)cyclopenta[b]furan-2-one
SMILESO=C1OC2=CC=CC2=C1CO
InChIInChI=1S/C8H6O3/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,9H,4H2
InChIKeyFTJVBGLYIUZPKY-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.29
Rot. Bonds1

About 3-(hydroxymethyl)cyclopenta[b]furan-2-one

3-(hydroxymethyl)cyclopenta[b]furan-2-one (PubChem CID 23338125) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)cyclopenta[b]furan-2-one
PubChem CID23338125
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name3-(hydroxymethyl)cyclopenta[b]furan-2-one
SMILESO=C1OC2=CC=CC2=C1CO
InChIInChI=1S/C8H6O3/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,9H,4H2
InChIKeyFTJVBGLYIUZPKY-UHFFFAOYSA-N
XLogP0.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)cyclopenta[b]furan-2-one?
The IUPAC name of 3-(hydroxymethyl)cyclopenta[b]furan-2-one (CID 23338125) is 3-(hydroxymethyl)cyclopenta[b]furan-2-one.
What is the SMILES notation for 3-(hydroxymethyl)cyclopenta[b]furan-2-one?
The canonical SMILES for 3-(hydroxymethyl)cyclopenta[b]furan-2-one is O=C1OC2=CC=CC2=C1CO.
What is the InChIKey of 3-(hydroxymethyl)cyclopenta[b]furan-2-one?
The InChIKey is FTJVBGLYIUZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,9H,4H2.
What are the key properties of 3-(hydroxymethyl)cyclopenta[b]furan-2-one?
3-(hydroxymethyl)cyclopenta[b]furan-2-one has a molecular weight of 150.13 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)cyclopenta[b]furan-2-one is sourced from PubChem (CID 23338125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).