4-tert-butylphenol;titanium

C10H14OTi — CID 20801499

IUPAC4-tert-butylphenol;titanium
SMILESCC(C)(C)c1ccc(O)cc1.[Ti]
InChIInChI=1S/C10H14O.Ti/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyKRSTXDRXIAUNLJ-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.69
Rot. Bonds

About 4-tert-butylphenol;titanium

4-tert-butylphenol;titanium (PubChem CID 20801499) has the molecular formula C10H14OTi and a molecular weight of 198.09 g/mol. Its IUPAC name is 4-tert-butylphenol;titanium.

Molecular Properties

Compound Name4-tert-butylphenol;titanium
PubChem CID20801499
Molecular FormulaC10H14OTi
Molecular Weight198.09 g/mol
Exact Mass198.05
IUPAC Name4-tert-butylphenol;titanium
SMILESCC(C)(C)c1ccc(O)cc1.[Ti]
InChIInChI=1S/C10H14O.Ti/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyKRSTXDRXIAUNLJ-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174380967
bis(4-tert-butylphenol);zirconium
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4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
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CID 139024042
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CID 20637487
disodium bisphenol-A
CID 66941220
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1-(4-hydroxyphenyl)ethane-1,1-diol
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4-(N-amino-4-tert-butylanilino)phenol
CID 150725631
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
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CID 173033429

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphenol;titanium?
The IUPAC name of 4-tert-butylphenol;titanium (CID 20801499) is 4-tert-butylphenol;titanium.
What is the SMILES notation for 4-tert-butylphenol;titanium?
The canonical SMILES for 4-tert-butylphenol;titanium is CC(C)(C)c1ccc(O)cc1.[Ti].
What is the InChIKey of 4-tert-butylphenol;titanium?
The InChIKey is KRSTXDRXIAUNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.Ti/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;.
What are the key properties of 4-tert-butylphenol;titanium?
4-tert-butylphenol;titanium has a molecular weight of 198.09 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphenol;titanium is sourced from PubChem (CID 20801499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).