1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium

C22H22Y-2 — CID 59010786

IUPAC1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium
SMILESCCc1cccc(Cc2cc[c-]cc2)c1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C15H15.C7H7.Y/c1-2-13-9-6-10-15(11-13)12-14-7-4-3-5-8-14;1-7-5-3-2-4-6-7;/h4-11H,2,12H2,1H3;3-6H,1H3;/q2*-1;
InChIKeyLZUXGUMWTGLDMR-UHFFFAOYSA-N
MW375.32 g/mol
LogP5.43
Rot. Bonds3

About 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium

1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium (PubChem CID 59010786) has the molecular formula C22H22Y-2 and a molecular weight of 375.32 g/mol. Its IUPAC name is 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium.

Molecular Properties

Compound Name1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium
PubChem CID59010786
Molecular FormulaC22H22Y-2
Molecular Weight375.32 g/mol
Exact Mass375.08
IUPAC Name1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium
SMILESCCc1cccc(Cc2cc[c-]cc2)c1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C15H15.C7H7.Y/c1-2-13-9-6-10-15(11-13)12-14-7-4-3-5-8-14;1-7-5-3-2-4-6-7;/h4-11H,2,12H2,1H3;3-6H,1H3;/q2*-1;
InChIKeyLZUXGUMWTGLDMR-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.32
LogP ≤ 55.43
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

methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
CID 161347564
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
ethylbenzene;yttrium
CID 59931165
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
CID 59129926
CID 59129926
benzylbenzene;uranium;dihydrate
CID 163704034
methane;methylbenzene;yttrium
CID 158936681
magnesium;benzylbenzene;bromide
CID 85435877
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium?
The IUPAC name of 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium (CID 59010786) is 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium.
What is the SMILES notation for 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium?
The canonical SMILES for 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium is CCc1cccc(Cc2cc[c-]cc2)c1.Cc1cc[c-]cc1.[Y].
What is the InChIKey of 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium?
The InChIKey is LZUXGUMWTGLDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15.C7H7.Y/c1-2-13-9-6-10-15(11-13)12-14-7-4-3-5-8-14;1-7-5-3-2-4-6-7;/h4-11H,2,12H2,1H3;3-6H,1H3;/q2*-1;.
What are the key properties of 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium?
1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium has a molecular weight of 375.32 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium is sourced from PubChem (CID 59010786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).