1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium

C14H11O2Y- — CID 140875307

IUPAC1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium
SMILESO=CC1=C2Oc3c[c-]ccc3C=C2CCC1.[Y]
InChIInChI=1S/C14H11O2.Y/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12;/h1,4,7-9H,3,5-6H2;/q-1;
InChIKeyXZVYURCASZZFJB-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.90
Rot. Bonds1

About 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium

1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium (PubChem CID 140875307) has the molecular formula C14H11O2Y- and a molecular weight of 300.15 g/mol. Its IUPAC name is 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium.

Molecular Properties

Compound Name1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium
PubChem CID140875307
Molecular FormulaC14H11O2Y-
Molecular Weight300.15 g/mol
Exact Mass299.98
IUPAC Name1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium
SMILESO=CC1=C2Oc3c[c-]ccc3C=C2CCC1.[Y]
InChIInChI=1S/C14H11O2.Y/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12;/h1,4,7-9H,3,5-6H2;/q-1;
InChIKeyXZVYURCASZZFJB-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chroman-5,6-quinone
CID 23084389
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
2-Methyl-2,6,7,8-tetrahydro-chromen-5-one
CID 11557341
3-(1,4-Dioxin-2-yl)cyclohex-2-en-1-one
CID 57166036
2-(1,3-Dimethylisochromen-3-yl)cyclohexene-1-carbaldehyde
CID 87967994
7-(Methoxymethyl)-5,6-dihydrochromen-4-one
CID 129145777
2,3,4,5-Tetrahydrochromen-6-one
CID 129664889
2,3,5,6-Tetrahydrochromen-4-one
CID 129716129
2,6,7,8,9,10-hexahydro-1H-benzo[c][1]benzoxepin-11-one
CID 141930617
2-(7,8-Dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 148940071
2,5,6,7-Tetrahydrochromen-8-one
CID 150035896
6,7-dihydro-5H-chromene-8-carbaldehyde
CID 174470259

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium?
The IUPAC name of 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium (CID 140875307) is 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium.
What is the SMILES notation for 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium?
The canonical SMILES for 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium is O=CC1=C2Oc3c[c-]ccc3C=C2CCC1.[Y].
What is the InChIKey of 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium?
The InChIKey is XZVYURCASZZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O2.Y/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12;/h1,4,7-9H,3,5-6H2;/q-1;.
What are the key properties of 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium?
1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium has a molecular weight of 300.15 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium is sourced from PubChem (CID 140875307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).