2,4-ditert-butyl-5-methylphenol;titanium

C15H24OTi — CID 174406764

IUPAC2,4-ditert-butyl-5-methylphenol;titanium
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C.[Ti]
InChIInChI=1S/C15H24O.Ti/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4;/h8-9,16H,1-7H3;
InChIKeyNUQBOSADCDDJLY-UHFFFAOYSA-N
MW268.22 g/mol
LogP4.29
Rot. Bonds

About 2,4-ditert-butyl-5-methylphenol;titanium

2,4-ditert-butyl-5-methylphenol;titanium (PubChem CID 174406764) has the molecular formula C15H24OTi and a molecular weight of 268.22 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-methylphenol;titanium.

Molecular Properties

Compound Name2,4-ditert-butyl-5-methylphenol;titanium
PubChem CID174406764
Molecular FormulaC15H24OTi
Molecular Weight268.22 g/mol
Exact Mass268.13
IUPAC Name2,4-ditert-butyl-5-methylphenol;titanium
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C.[Ti]
InChIInChI=1S/C15H24O.Ti/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4;/h8-9,16H,1-7H3;
InChIKeyNUQBOSADCDDJLY-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2-tert-butyl-4-[3-(5-tert-butyl-4-hydroxy-2-methylphenyl)hexan-3-yl]-5-methylphenol
CID 139631784
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-5-methylphenol
CID 57198383
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
2-tert-butyl-4-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-sulfanylhexadecan-2-yl]-5-methylphenol
CID 22643732
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-methylphenol;titanium?
The IUPAC name of 2,4-ditert-butyl-5-methylphenol;titanium (CID 174406764) is 2,4-ditert-butyl-5-methylphenol;titanium.
What is the SMILES notation for 2,4-ditert-butyl-5-methylphenol;titanium?
The canonical SMILES for 2,4-ditert-butyl-5-methylphenol;titanium is Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C.[Ti].
What is the InChIKey of 2,4-ditert-butyl-5-methylphenol;titanium?
The InChIKey is NUQBOSADCDDJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.Ti/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4;/h8-9,16H,1-7H3;.
What are the key properties of 2,4-ditert-butyl-5-methylphenol;titanium?
2,4-ditert-butyl-5-methylphenol;titanium has a molecular weight of 268.22 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-methylphenol;titanium is sourced from PubChem (CID 174406764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).