1-methyl-4-(2-phenylethenyl)benzene;yttrium

C15H13Y- — CID 58402259

IUPAC1-methyl-4-(2-phenylethenyl)benzene;yttrium
SMILESCc1ccc(C=Cc2c[c-]ccc2)cc1.[Y]
InChIInChI=1S/C15H13.Y/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-3,5-12H,1H3;/q-1;
InChIKeyFHTXPXRWYMIQBM-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.96
Rot. Bonds2

About 1-methyl-4-(2-phenylethenyl)benzene;yttrium

1-methyl-4-(2-phenylethenyl)benzene;yttrium (PubChem CID 58402259) has the molecular formula C15H13Y- and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylethenyl)benzene;yttrium.

Molecular Properties

Compound Name1-methyl-4-(2-phenylethenyl)benzene;yttrium
PubChem CID58402259
Molecular FormulaC15H13Y-
Molecular Weight282.18 g/mol
Exact Mass282.01
IUPAC Name1-methyl-4-(2-phenylethenyl)benzene;yttrium
SMILESCc1ccc(C=Cc2c[c-]ccc2)cc1.[Y]
InChIInChI=1S/C15H13.Y/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-3,5-12H,1H3;/q-1;
InChIKeyFHTXPXRWYMIQBM-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
berkelium;methylbenzene;1,4-xylene
CID 160800494
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
methylbenzene
CID 5150539
magnesium;1-methyl-4-phenylbenzene;bromide
CID 91655477
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
ethane;methylbenzene;tungsten(2+)
CID 159613245
1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 58915425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylethenyl)benzene;yttrium?
The IUPAC name of 1-methyl-4-(2-phenylethenyl)benzene;yttrium (CID 58402259) is 1-methyl-4-(2-phenylethenyl)benzene;yttrium.
What is the SMILES notation for 1-methyl-4-(2-phenylethenyl)benzene;yttrium?
The canonical SMILES for 1-methyl-4-(2-phenylethenyl)benzene;yttrium is Cc1ccc(C=Cc2c[c-]ccc2)cc1.[Y].
What is the InChIKey of 1-methyl-4-(2-phenylethenyl)benzene;yttrium?
The InChIKey is FHTXPXRWYMIQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.Y/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-3,5-12H,1H3;/q-1;.
What are the key properties of 1-methyl-4-(2-phenylethenyl)benzene;yttrium?
1-methyl-4-(2-phenylethenyl)benzene;yttrium has a molecular weight of 282.18 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylethenyl)benzene;yttrium is sourced from PubChem (CID 58402259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).