ethane;methylbenzene;4-methylphenol;yttrium

C18H27OY- — CID 160854018

IUPACethane;methylbenzene;4-methylphenol;yttrium
SMILESCC.CC.Cc1cc[c-]cc1.Cc1ccc(O)cc1.[Y]
InChIInChI=1S/C7H8O.C7H7.2C2H6.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2;/h2-5,8H,1H3;3-6H,1H3;2*1-2H3;/q;-1;;;
InChIKeyFPJZWPIWEXXDGK-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.55
Rot. Bonds

About ethane;methylbenzene;4-methylphenol;yttrium

ethane;methylbenzene;4-methylphenol;yttrium (PubChem CID 160854018) has the molecular formula C18H27OY- and a molecular weight of 348.32 g/mol. Its IUPAC name is ethane;methylbenzene;4-methylphenol;yttrium.

Molecular Properties

Compound Nameethane;methylbenzene;4-methylphenol;yttrium
PubChem CID160854018
Molecular FormulaC18H27OY-
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Nameethane;methylbenzene;4-methylphenol;yttrium
SMILESCC.CC.Cc1cc[c-]cc1.Cc1ccc(O)cc1.[Y]
InChIInChI=1S/C7H8O.C7H7.2C2H6.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2;/h2-5,8H,1H3;3-6H,1H3;2*1-2H3;/q;-1;;;
InChIKeyFPJZWPIWEXXDGK-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methylbenzene;yttrium
CID 158556230
4-methylphenol;hydrate
CID 71777661
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol
CID 70549076
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
methanol;methylbenzene;titanium
CID 141397968
ethane;4-(4-methylphenyl)phenol
CID 161379556
bis(4-methylphenol);tetrahydrochloride
CID 175346853
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;zirconium
CID 154186584

Frequently Asked Questions

What is the IUPAC name of ethane;methylbenzene;4-methylphenol;yttrium?
The IUPAC name of ethane;methylbenzene;4-methylphenol;yttrium (CID 160854018) is ethane;methylbenzene;4-methylphenol;yttrium.
What is the SMILES notation for ethane;methylbenzene;4-methylphenol;yttrium?
The canonical SMILES for ethane;methylbenzene;4-methylphenol;yttrium is CC.CC.Cc1cc[c-]cc1.Cc1ccc(O)cc1.[Y].
What is the InChIKey of ethane;methylbenzene;4-methylphenol;yttrium?
The InChIKey is FPJZWPIWEXXDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H7.2C2H6.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2;/h2-5,8H,1H3;3-6H,1H3;2*1-2H3;/q;-1;;;.
What are the key properties of ethane;methylbenzene;4-methylphenol;yttrium?
ethane;methylbenzene;4-methylphenol;yttrium has a molecular weight of 348.32 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylbenzene;4-methylphenol;yttrium is sourced from PubChem (CID 160854018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).