8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one

C12H12O3 — CID 163780921

IUPAC8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
SMILESO=C1CC(CO)c2c1ccc1c2CCO1
InChIInChI=1S/C12H12O3/c13-6-7-5-10(14)8-1-2-11-9(12(7)8)3-4-15-11/h1-2,7,13H,3-6H2
InChIKeyMONCVEWUHMUXAR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.28
Rot. Bonds1

About 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one

8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one (PubChem CID 163780921) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
PubChem CID163780921
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
SMILESO=C1CC(CO)c2c1ccc1c2CCO1
InChIInChI=1S/C12H12O3/c13-6-7-5-10(14)8-1-2-11-9(12(7)8)3-4-15-11/h1-2,7,13H,3-6H2
InChIKeyMONCVEWUHMUXAR-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The IUPAC name of 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one (CID 163780921) is 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one.
What is the SMILES notation for 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The canonical SMILES for 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one is O=C1CC(CO)c2c1ccc1c2CCO1.
What is the InChIKey of 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The InChIKey is MONCVEWUHMUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-6-7-5-10(14)8-1-2-11-9(12(7)8)3-4-15-11/h1-2,7,13H,3-6H2.
What are the key properties of 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one has a molecular weight of 204.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one is sourced from PubChem (CID 163780921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).