1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium

C15H15ClY-2 — CID 58755474

IUPAC1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium
SMILESCc1c[c-]ccc1C.Cc1c[c-]ccc1Cl.[Y]
InChIInChI=1S/C8H9.C7H6Cl.Y/c1-7-5-3-4-6-8(7)2;1-6-4-2-3-5-7(6)8;/h3,5-6H,1-2H3;3-5H,1H3;/q2*-1;
InChIKeyAECDADBLXXSHFL-UHFFFAOYSA-N
MW319.64 g/mol
LogP4.55
Rot. Bonds

About 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium

1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium (PubChem CID 58755474) has the molecular formula C15H15ClY-2 and a molecular weight of 319.64 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium.

Molecular Properties

Compound Name1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium
PubChem CID58755474
Molecular FormulaC15H15ClY-2
Molecular Weight319.64 g/mol
Exact Mass318.99
IUPAC Name1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium
SMILESCc1c[c-]ccc1C.Cc1c[c-]ccc1Cl.[Y]
InChIInChI=1S/C8H9.C7H6Cl.Y/c1-7-5-3-4-6-8(7)2;1-6-4-2-3-5-7(6)8;/h3,5-6H,1-2H3;3-5H,1H3;/q2*-1;
InChIKeyAECDADBLXXSHFL-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium?
The IUPAC name of 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium (CID 58755474) is 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium.
What is the SMILES notation for 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium?
The canonical SMILES for 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium is Cc1c[c-]ccc1C.Cc1c[c-]ccc1Cl.[Y].
What is the InChIKey of 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium?
The InChIKey is AECDADBLXXSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C7H6Cl.Y/c1-7-5-3-4-6-8(7)2;1-6-4-2-3-5-7(6)8;/h3,5-6H,1-2H3;3-5H,1H3;/q2*-1;.
What are the key properties of 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium?
1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium has a molecular weight of 319.64 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium is sourced from PubChem (CID 58755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).