phenylmethanol;titanium;dihydrochloride

C14H18Cl2O2Ti — CID 88632851

IUPACphenylmethanol;titanium;dihydrochloride
SMILESCl.Cl.OCc1ccccc1.OCc1ccccc1.[Ti]
InChIInChI=1S/2C7H8O.2ClH.Ti/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6H2;2*1H;
InChIKeyKYPPBAVBTXTTHR-UHFFFAOYSA-N
MW337.07 g/mol
LogP3.20
Rot. Bonds2

About phenylmethanol;titanium;dihydrochloride

phenylmethanol;titanium;dihydrochloride (PubChem CID 88632851) has the molecular formula C14H18Cl2O2Ti and a molecular weight of 337.07 g/mol. Its IUPAC name is phenylmethanol;titanium;dihydrochloride.

Molecular Properties

Compound Namephenylmethanol;titanium;dihydrochloride
PubChem CID88632851
Molecular FormulaC14H18Cl2O2Ti
Molecular Weight337.07 g/mol
Exact Mass336.02
IUPAC Namephenylmethanol;titanium;dihydrochloride
SMILESCl.Cl.OCc1ccccc1.OCc1ccccc1.[Ti]
InChIInChI=1S/2C7H8O.2ClH.Ti/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6H2;2*1H;
InChIKeyKYPPBAVBTXTTHR-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.07
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenylmethanol;titanium;dihydrochloride?
The IUPAC name of phenylmethanol;titanium;dihydrochloride (CID 88632851) is phenylmethanol;titanium;dihydrochloride.
What is the SMILES notation for phenylmethanol;titanium;dihydrochloride?
The canonical SMILES for phenylmethanol;titanium;dihydrochloride is Cl.Cl.OCc1ccccc1.OCc1ccccc1.[Ti].
What is the InChIKey of phenylmethanol;titanium;dihydrochloride?
The InChIKey is KYPPBAVBTXTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.2ClH.Ti/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6H2;2*1H;.
What are the key properties of phenylmethanol;titanium;dihydrochloride?
phenylmethanol;titanium;dihydrochloride has a molecular weight of 337.07 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;titanium;dihydrochloride is sourced from PubChem (CID 88632851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).