bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride

C24H38Cl2O2Ti — CID 87638377

IUPACbis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.Cl.Cl.[Ti]
InChIInChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;
InChIKeyUCRVLZLPFOLDNR-UHFFFAOYSA-N
MW477.34 g/mol
LogP8.12
Rot. Bonds4

About bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride

bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride (PubChem CID 87638377) has the molecular formula C24H38Cl2O2Ti and a molecular weight of 477.34 g/mol. Its IUPAC name is bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride.

Molecular Properties

Compound Namebis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
PubChem CID87638377
Molecular FormulaC24H38Cl2O2Ti
Molecular Weight477.34 g/mol
Exact Mass476.17
IUPAC Namebis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.Cl.Cl.[Ti]
InChIInChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;
InChIKeyUCRVLZLPFOLDNR-UHFFFAOYSA-N
XLogP8.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.34
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
CID 11210933
2-bromo-6-propan-2-ylphenol
CID 14663965
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069
CID 6389258
CID 6389258
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418

Frequently Asked Questions

What is the IUPAC name of bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride?
The IUPAC name of bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride (CID 87638377) is bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride.
What is the SMILES notation for bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride?
The canonical SMILES for bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride is CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.Cl.Cl.[Ti].
What is the InChIKey of bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride?
The InChIKey is UCRVLZLPFOLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;.
What are the key properties of bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride?
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride has a molecular weight of 477.34 g/mol, XLogP of 8.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride is sourced from PubChem (CID 87638377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).