ethanol;bis(2-methylphenol);titanium

C18H28O4Ti — CID 22238726

IUPACethanol;bis(2-methylphenol);titanium
SMILESCCO.CCO.Cc1ccccc1O.Cc1ccccc1O.[Ti]
InChIInChI=1S/2C7H8O.2C2H6O.Ti/c2*1-6-4-2-3-5-7(6)8;2*1-2-3;/h2*2-5,8H,1H3;2*3H,2H2,1H3;
InChIKeyMCPMXJZYJVZFKF-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.40
Rot. Bonds

About ethanol;bis(2-methylphenol);titanium

ethanol;bis(2-methylphenol);titanium (PubChem CID 22238726) has the molecular formula C18H28O4Ti and a molecular weight of 356.29 g/mol. Its IUPAC name is ethanol;bis(2-methylphenol);titanium.

Molecular Properties

Compound Nameethanol;bis(2-methylphenol);titanium
PubChem CID22238726
Molecular FormulaC18H28O4Ti
Molecular Weight356.29 g/mol
Exact Mass356.15
IUPAC Nameethanol;bis(2-methylphenol);titanium
SMILESCCO.CCO.Cc1ccccc1O.Cc1ccccc1O.[Ti]
InChIInChI=1S/2C7H8O.2C2H6O.Ti/c2*1-6-4-2-3-5-7(6)8;2*1-2-3;/h2*2-5,8H,1H3;2*3H,2H2,1H3;
InChIKeyMCPMXJZYJVZFKF-UHFFFAOYSA-N
XLogP3.40
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;bis(2-methylphenol);titanium?
The IUPAC name of ethanol;bis(2-methylphenol);titanium (CID 22238726) is ethanol;bis(2-methylphenol);titanium.
What is the SMILES notation for ethanol;bis(2-methylphenol);titanium?
The canonical SMILES for ethanol;bis(2-methylphenol);titanium is CCO.CCO.Cc1ccccc1O.Cc1ccccc1O.[Ti].
What is the InChIKey of ethanol;bis(2-methylphenol);titanium?
The InChIKey is MCPMXJZYJVZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.2C2H6O.Ti/c2*1-6-4-2-3-5-7(6)8;2*1-2-3;/h2*2-5,8H,1H3;2*3H,2H2,1H3;.
What are the key properties of ethanol;bis(2-methylphenol);titanium?
ethanol;bis(2-methylphenol);titanium has a molecular weight of 356.29 g/mol, XLogP of 3.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(2-methylphenol);titanium is sourced from PubChem (CID 22238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).