2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)

C10H11O2Y+2 — CID 20627855

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)
SMILESOCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H11O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9,11H,5-7H2;/q-1;+3
InChIKeyLVWFXPNHMBIGIT-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.17
Rot. Bonds1

About 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)

2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+) (PubChem CID 20627855) has the molecular formula C10H11O2Y+2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+).

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)
PubChem CID20627855
Molecular FormulaC10H11O2Y+2
Molecular Weight252.10 g/mol
Exact Mass251.98
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)
SMILESOCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H11O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9,11H,5-7H2;/q-1;+3
InChIKeyLVWFXPNHMBIGIT-UHFFFAOYSA-N
XLogP1.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+) (CID 20627855) is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+).
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+) is OCC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)?
The InChIKey is LVWFXPNHMBIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9,11H,5-7H2;/q-1;+3.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)?
2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+) has a molecular weight of 252.10 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+) is sourced from PubChem (CID 20627855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).