2-[(E)-2-phenylethenyl]benzaldehyde;yttrium

C15H11OY- — CID 155769853

IUPAC2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
SMILESO=Cc1ccccc1/C=C/c1[c-]cccc1.[Y]
InChIInChI=1S/C15H11O.Y/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;/h1-6,8-12H;/q-1;/b11-10+;
InChIKeyJOVYVJMBMAGGQQ-ASTDGNLGSA-N
MW296.16 g/mol
LogP3.47
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium

2-[(E)-2-phenylethenyl]benzaldehyde;yttrium (PubChem CID 155769853) has the molecular formula C15H11OY- and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
PubChem CID155769853
Molecular FormulaC15H11OY-
Molecular Weight296.16 g/mol
Exact Mass295.99
IUPAC Name2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
SMILESO=Cc1ccccc1/C=C/c1[c-]cccc1.[Y]
InChIInChI=1S/C15H11O.Y/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;/h1-6,8-12H;/q-1;/b11-10+;
InChIKeyJOVYVJMBMAGGQQ-ASTDGNLGSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-phenylethenyl]benzene
CID 101447651
benzaldehyde;carbanide;tungsten(2+)
CID 20660194
2-[(E)-2-hydroxyethenyl]benzaldehyde
CID 98052908
phenylmethylideneazanide;yttrium
CID 58999598
potassium phenylmethylideneazanide
CID 59945790
dihydroxy(dioxo)chromium;phthalaldehyde
CID 174903240
magnesium;thiobenzaldehyde;bromide
CID 19909426
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde
CID 11460181
CID 158421076
CID 158421076
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium
CID 149419186

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium?
The IUPAC name of 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium (CID 155769853) is 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium?
The canonical SMILES for 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium is O=Cc1ccccc1/C=C/c1[c-]cccc1.[Y].
What is the InChIKey of 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium?
The InChIKey is JOVYVJMBMAGGQQ-ASTDGNLGSA-N. The full InChI is InChI=1S/C15H11O.Y/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;/h1-6,8-12H;/q-1;/b11-10+;.
What are the key properties of 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium?
2-[(E)-2-phenylethenyl]benzaldehyde;yttrium has a molecular weight of 296.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]benzaldehyde;yttrium is sourced from PubChem (CID 155769853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).