1,3-dimethyl-5-phenylbenzene;yttrium

C14H13Y- — CID 59217668

IUPAC1,3-dimethyl-5-phenylbenzene;yttrium
SMILESCc1cc(C)cc(-c2cc[c-]cc2)c1.[Y]
InChIInChI=1S/C14H13.Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;/h4-10H,1-2H3;/q-1;
InChIKeyFCYZCQSUAQTNGM-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.77
Rot. Bonds1

About 1,3-dimethyl-5-phenylbenzene;yttrium

1,3-dimethyl-5-phenylbenzene;yttrium (PubChem CID 59217668) has the molecular formula C14H13Y- and a molecular weight of 270.16 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenylbenzene;yttrium.

Molecular Properties

Compound Name1,3-dimethyl-5-phenylbenzene;yttrium
PubChem CID59217668
Molecular FormulaC14H13Y-
Molecular Weight270.16 g/mol
Exact Mass270.01
IUPAC Name1,3-dimethyl-5-phenylbenzene;yttrium
SMILESCc1cc(C)cc(-c2cc[c-]cc2)c1.[Y]
InChIInChI=1S/C14H13.Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;/h4-10H,1-2H3;/q-1;
InChIKeyFCYZCQSUAQTNGM-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-phenylbenzene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
1,3-dimethyl-5-phenylbenzene;bis(yttrium)
CID 59217667
2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
CID 148599359
carbanide;1-methyl-3-phenylbenzene;osmium(2+);phenylbenzene
CID 145480532
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
CID 59372723
methane;methylbenzene;yttrium
CID 160876865
ethane;methylbenzene;yttrium
CID 158556230
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
4-[4-[6-(3,5-dimethylphenyl)naphthalen-2-yl]phenyl]pyridine
CID 170289207

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenylbenzene;yttrium?
The IUPAC name of 1,3-dimethyl-5-phenylbenzene;yttrium (CID 59217668) is 1,3-dimethyl-5-phenylbenzene;yttrium.
What is the SMILES notation for 1,3-dimethyl-5-phenylbenzene;yttrium?
The canonical SMILES for 1,3-dimethyl-5-phenylbenzene;yttrium is Cc1cc(C)cc(-c2cc[c-]cc2)c1.[Y].
What is the InChIKey of 1,3-dimethyl-5-phenylbenzene;yttrium?
The InChIKey is FCYZCQSUAQTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13.Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;/h4-10H,1-2H3;/q-1;.
What are the key properties of 1,3-dimethyl-5-phenylbenzene;yttrium?
1,3-dimethyl-5-phenylbenzene;yttrium has a molecular weight of 270.16 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenylbenzene;yttrium is sourced from PubChem (CID 59217668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).