1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium

C14H12Y-2 — CID 58734111

IUPAC1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium
SMILESCc1cc[c-]c(Cc2[c-]cccc2)c1.[Y]
InChIInChI=1S/C14H12.Y/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;/h2-7,10H,11H2,1H3;/q-2;
InChIKeyNDZSVEZHVQLJSR-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.18
Rot. Bonds2

About 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium

1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium (PubChem CID 58734111) has the molecular formula C14H12Y-2 and a molecular weight of 269.16 g/mol. Its IUPAC name is 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium.

Molecular Properties

Compound Name1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium
PubChem CID58734111
Molecular FormulaC14H12Y-2
Molecular Weight269.16 g/mol
Exact Mass269.00
IUPAC Name1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium
SMILESCc1cc[c-]c(Cc2[c-]cccc2)c1.[Y]
InChIInChI=1S/C14H12.Y/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;/h2-7,10H,11H2,1H3;/q-2;
InChIKeyNDZSVEZHVQLJSR-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenylmethylbenzene;tungsten(2+)
CID 23570247
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
CID 161008238
CID 161008238
iridium(3+);tris(2-(phenylmethyl)pyridine)
CID 58843926
ethane;6-methylchrysene;1-methyl-3-phenylbenzene-4-ide;yttrium
CID 158954289
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275
chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten
CID 161003360
magnesium;octylbenzene;chloride
CID 88593205
zinc;methylbenzene;chloride
CID 22283008
2-(3-bromobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);1-methyl-3-phenylbenzene-4-ide
CID 162483813
3-(3-methylbenzene-6-id-1-yl)-4H-pyridin-4-ide;(yttrium)
CID 155613735
propylbenzene;uranium(2+)
CID 145059917

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium?
The IUPAC name of 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium (CID 58734111) is 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium.
What is the SMILES notation for 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium?
The canonical SMILES for 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium is Cc1cc[c-]c(Cc2[c-]cccc2)c1.[Y].
What is the InChIKey of 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium?
The InChIKey is NDZSVEZHVQLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.Y/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;/h2-7,10H,11H2,1H3;/q-2;.
What are the key properties of 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium?
1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium has a molecular weight of 269.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium is sourced from PubChem (CID 58734111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).