bis[(2-hydroxy-5-methylphenyl)methylidene]titanium

C16H16O2Ti — CID 174378495

IUPACbis[(2-hydroxy-5-methylphenyl)methylidene]titanium
SMILESCc1ccc(O)c(C=[Ti]=Cc2cc(C)ccc2O)c1
InChIInChI=1S/2C8H8O.Ti/c2*1-6-3-4-8(9)7(2)5-6;/h2*2-5,9H,1H3;
InChIKeyNJPATVBPTHTSOS-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.80
Rot. Bonds2

About bis[(2-hydroxy-5-methylphenyl)methylidene]titanium

bis[(2-hydroxy-5-methylphenyl)methylidene]titanium (PubChem CID 174378495) has the molecular formula C16H16O2Ti and a molecular weight of 288.17 g/mol. Its IUPAC name is bis[(2-hydroxy-5-methylphenyl)methylidene]titanium.

Molecular Properties

Compound Namebis[(2-hydroxy-5-methylphenyl)methylidene]titanium
PubChem CID174378495
Molecular FormulaC16H16O2Ti
Molecular Weight288.17 g/mol
Exact Mass288.06
IUPAC Namebis[(2-hydroxy-5-methylphenyl)methylidene]titanium
SMILESCc1ccc(O)c(C=[Ti]=Cc2cc(C)ccc2O)c1
InChIInChI=1S/2C8H8O.Ti/c2*1-6-3-4-8(9)7(2)5-6;/h2*2-5,9H,1H3;
InChIKeyNJPATVBPTHTSOS-UHFFFAOYSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-propa-1,2-dienylphenol
CID 45082800
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,4-dimethylphenol
CID 67713801
4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
CID 170483189
2,4-dimethylphenol;yttrium
CID 87733318

Frequently Asked Questions

What is the IUPAC name of bis[(2-hydroxy-5-methylphenyl)methylidene]titanium?
The IUPAC name of bis[(2-hydroxy-5-methylphenyl)methylidene]titanium (CID 174378495) is bis[(2-hydroxy-5-methylphenyl)methylidene]titanium.
What is the SMILES notation for bis[(2-hydroxy-5-methylphenyl)methylidene]titanium?
The canonical SMILES for bis[(2-hydroxy-5-methylphenyl)methylidene]titanium is Cc1ccc(O)c(C=[Ti]=Cc2cc(C)ccc2O)c1.
What is the InChIKey of bis[(2-hydroxy-5-methylphenyl)methylidene]titanium?
The InChIKey is NJPATVBPTHTSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O.Ti/c2*1-6-3-4-8(9)7(2)5-6;/h2*2-5,9H,1H3;.
What are the key properties of bis[(2-hydroxy-5-methylphenyl)methylidene]titanium?
bis[(2-hydroxy-5-methylphenyl)methylidene]titanium has a molecular weight of 288.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-hydroxy-5-methylphenyl)methylidene]titanium is sourced from PubChem (CID 174378495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).