3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium

C9H9O2Y- — CID 59106147

IUPAC3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium
SMILESOCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H9O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8,10H,5-6H2;/q-1;
InChIKeyVGLXHNFJESJGJG-UHFFFAOYSA-N
MW238.07 g/mol
LogP0.78
Rot. Bonds1

About 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium

3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium (PubChem CID 59106147) has the molecular formula C9H9O2Y- and a molecular weight of 238.07 g/mol. Its IUPAC name is 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium.

Molecular Properties

Compound Name3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium
PubChem CID59106147
Molecular FormulaC9H9O2Y-
Molecular Weight238.07 g/mol
Exact Mass237.97
IUPAC Name3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium
SMILESOCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H9O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8,10H,5-6H2;/q-1;
InChIKeyVGLXHNFJESJGJG-UHFFFAOYSA-N
XLogP0.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[4-Ethenyl-5-(1-fluoroethenyl)-2,3-dihydrofuran-2-yl]methanol
CID 144636735
6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol
CID 164603367
2-[4-(2-Hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
CID 19016661
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209
(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
CID 67044083
5-Benzofuranmethanol, 2,3-dihydro-
CID 69640809
2,2,4-trimethyl-7aH-1-benzofuran-3-ol
CID 70159575
(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol
CID 70564624
2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethanol
CID 89688748
4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxycyclohexa-1,3-dien-1-ol
CID 101416039
(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol
CID 122631824
(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol
CID 126763483

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium?
The IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium (CID 59106147) is 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium.
What is the SMILES notation for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium?
The canonical SMILES for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium is OCC1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium?
The InChIKey is VGLXHNFJESJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8,10H,5-6H2;/q-1;.
What are the key properties of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium?
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium has a molecular weight of 238.07 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium is sourced from PubChem (CID 59106147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).