2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium

C10H11O2Y- — CID 59118209

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium
SMILESOCC1CCc2c[c-]ccc2O1.[Y]
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;
InChIKeyHMCBQBPHUGNAOK-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.17
Rot. Bonds1

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

2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium (PubChem CID 59118209) has the molecular formula C10H11O2Y- and a molecular weight of 252.10 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium.

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium
PubChem CID59118209
Molecular FormulaC10H11O2Y-
Molecular Weight252.10 g/mol
Exact Mass251.98
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium
SMILESOCC1CCc2c[c-]ccc2O1.[Y]
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;
InChIKeyHMCBQBPHUGNAOK-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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Related Compounds

(S)-1,4-dioxin-2-yl-(2-fluorocyclohexa-1,3-dien-1-yl)methanol
CID 69619753
1-(6-fluoro-3,4,5,6-tetrahydro-2H-chromen-2-yl)ethanol
CID 124005720
(6-fluoro-3,4,6,7-tetrahydro-2H-chromen-2-yl)methanol
CID 164007091
2-[4-(2-Hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
CID 19016661
[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium
CID 58999623
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanol;yttrium
CID 59106147
2-(Hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
CID 59925084
(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
CID 67044083
(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
CID 67338089
(S)-1,4-dioxin-2-yl-(2-methylcyclohexa-1,3-dien-1-yl)methanol
CID 69619749
4,5,6,8-Tetrahydropyrano[3,4-b]pyran-4-ol
CID 90931093
2-Cyclohex-2-en-1-yloxycyclohex-2-en-1-ol
CID 126763686

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium (CID 59118209) is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium.
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium is OCC1CCc2c[c-]ccc2O1.[Y].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium?
The InChIKey is HMCBQBPHUGNAOK-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;.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium?
2,3,4,6-tetrahydrochromen-6-id-2-ylmethanol;yttrium 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 is sourced from PubChem (CID 59118209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).