carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)

C16H20OW — CID 170621892

IUPACcarbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)
SMILESCC.Cc1ccc(Oc2cc[c-]cc2)cc1.[CH3-].[W+2]
InChIInChI=1S/C13H11O.C2H6.CH3.W/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-2;;/h3-10H,1H3;1-2H3;1H3;/q-1;;-1;+2
InChIKeyMFXACYRGDUUOPH-UHFFFAOYSA-N
MW412.18 g/mol
LogP5.06
Rot. Bonds2

About carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)

carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+) (PubChem CID 170621892) has the molecular formula C16H20OW and a molecular weight of 412.18 g/mol. Its IUPAC name is carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+).

Molecular Properties

Compound Namecarbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)
PubChem CID170621892
Molecular FormulaC16H20OW
Molecular Weight412.18 g/mol
Exact Mass412.10
IUPAC Namecarbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)
SMILESCC.Cc1ccc(Oc2cc[c-]cc2)cc1.[CH3-].[W+2]
InChIInChI=1S/C13H11O.C2H6.CH3.W/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-2;;/h3-10H,1H3;1-2H3;1H3;/q-1;;-1;+2
InChIKeyMFXACYRGDUUOPH-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.18
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
ethane;methylbenzene;yttrium
CID 158556230
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
potassium;carbanide;ethane;methoxybenzene
CID 171825126
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;zirconium
CID 154186584
methylbenzene;yttrium(3+)
CID 22952606
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)?
The IUPAC name of carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+) (CID 170621892) is carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+).
What is the SMILES notation for carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)?
The canonical SMILES for carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+) is CC.Cc1ccc(Oc2cc[c-]cc2)cc1.[CH3-].[W+2].
What is the InChIKey of carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)?
The InChIKey is MFXACYRGDUUOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O.C2H6.CH3.W/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-2;;/h3-10H,1H3;1-2H3;1H3;/q-1;;-1;+2.
What are the key properties of carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)?
carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+) has a molecular weight of 412.18 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+) is sourced from PubChem (CID 170621892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).