4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten

C16H17W- — CID 147577515

IUPAC4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten
SMILESCc1cc(C)cc(-c2c[c-]c(C)c(C)c2)c1.[W]
InChIInChI=1S/C16H17.W/c1-11-7-12(2)9-16(8-11)15-6-5-13(3)14(4)10-15;/h6-10H,1-4H3;/q-1;
InChIKeyIKBQLBDFEAKNGP-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.38
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten

4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten (PubChem CID 147577515) has the molecular formula C16H17W- and a molecular weight of 393.15 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten
PubChem CID147577515
Molecular FormulaC16H17W-
Molecular Weight393.15 g/mol
Exact Mass393.08
IUPAC Name4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten
SMILESCc1cc(C)cc(-c2c[c-]c(C)c(C)c2)c1.[W]
InChIInChI=1S/C16H17.W/c1-11-7-12(2)9-16(8-11)15-6-5-13(3)14(4)10-15;/h6-10H,1-4H3;/q-1;
InChIKeyIKBQLBDFEAKNGP-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.38
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

4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten(2+)
CID 21015211
1,3-dimethyl-5-phenylbenzene;bis(yttrium)
CID 59217667
2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
CID 20599386
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
1,3-dimethyl-5-phenylbenzene;yttrium
CID 59217668
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
CID 171375446
CID 171375446
ethane;1,3,5-trimethylbenzene
CID 91530079
2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
CID 91389768
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten?
The IUPAC name of 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten (CID 147577515) is 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten?
The canonical SMILES for 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten is Cc1cc(C)cc(-c2c[c-]c(C)c(C)c2)c1.[W].
What is the InChIKey of 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten?
The InChIKey is IKBQLBDFEAKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17.W/c1-11-7-12(2)9-16(8-11)15-6-5-13(3)14(4)10-15;/h6-10H,1-4H3;/q-1;.
What are the key properties of 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten?
4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten has a molecular weight of 393.15 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten is sourced from PubChem (CID 147577515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).