2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)

C17H17OY+2 — CID 21050960

IUPAC2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)
SMILES[CH2-]c1ccc(C2=CC3=CCCCC3=C2)cc1OC.[Y+3]
InChIInChI=1S/C17H17O.Y/c1-12-7-8-15(11-17(12)18-2)16-9-13-5-3-4-6-14(13)10-16;/h5,7-11H,1,3-4,6H2,2H3;/q-1;+3
InChIKeyBTPDRZWVDZKWFT-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.31
Rot. Bonds2

About 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)

2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+) (PubChem CID 21050960) has the molecular formula C17H17OY+2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+).

Molecular Properties

Compound Name2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)
PubChem CID21050960
Molecular FormulaC17H17OY+2
Molecular Weight326.23 g/mol
Exact Mass326.03
IUPAC Name2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)
SMILES[CH2-]c1ccc(C2=CC3=CCCCC3=C2)cc1OC.[Y+3]
InChIInChI=1S/C17H17O.Y/c1-12-7-8-15(11-17(12)18-2)16-9-13-5-3-4-6-14(13)10-16;/h5,7-11H,1,3-4,6H2,2H3;/q-1;+3
InChIKeyBTPDRZWVDZKWFT-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)?
The IUPAC name of 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+) (CID 21050960) is 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+).
What is the SMILES notation for 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)?
The canonical SMILES for 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+) is [CH2-]c1ccc(C2=CC3=CCCCC3=C2)cc1OC.[Y+3].
What is the InChIKey of 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)?
The InChIKey is BTPDRZWVDZKWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O.Y/c1-12-7-8-15(11-17(12)18-2)16-9-13-5-3-4-6-14(13)10-16;/h5,7-11H,1,3-4,6H2,2H3;/q-1;+3.
What are the key properties of 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+)?
2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+) has a molecular weight of 326.23 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methanidyl-3-methoxyphenyl)-5,6-dihydro-4H-indene;yttrium(3+) is sourced from PubChem (CID 21050960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).