3-tert-butyl-5-methoxyphenol;dioxotitanium

C11H16O4Ti — CID 174468851

IUPAC3-tert-butyl-5-methoxyphenol;dioxotitanium
SMILESCOc1cc(O)cc(C(C)(C)C)c1.O=[Ti]=O
InChIInChI=1S/C11H16O2.2O.Ti/c1-11(2,3)8-5-9(12)7-10(6-8)13-4;;;/h5-7,12H,1-4H3;;;
InChIKeyJAKUADRRMJTTLM-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.46
Rot. Bonds1

About 3-tert-butyl-5-methoxyphenol;dioxotitanium

3-tert-butyl-5-methoxyphenol;dioxotitanium (PubChem CID 174468851) has the molecular formula C11H16O4Ti and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxyphenol;dioxotitanium.

Molecular Properties

Compound Name3-tert-butyl-5-methoxyphenol;dioxotitanium
PubChem CID174468851
Molecular FormulaC11H16O4Ti
Molecular Weight260.11 g/mol
Exact Mass260.05
IUPAC Name3-tert-butyl-5-methoxyphenol;dioxotitanium
SMILESCOc1cc(O)cc(C(C)(C)C)c1.O=[Ti]=O
InChIInChI=1S/C11H16O2.2O.Ti/c1-11(2,3)8-5-9(12)7-10(6-8)13-4;;;/h5-7,12H,1-4H3;;;
InChIKeyJAKUADRRMJTTLM-UHFFFAOYSA-N
XLogP2.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-methoxyphenol;fluoro(propan-2-ylidene)titanium;dihydrochloride
CID 87147407
CID 173068121
CID 173068121
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
2-tert-butylcyclopenta-1,3-diene;3-tert-butyl-5-methoxyphenol;propan-2-ylidenetitanium(1+);dichloride
CID 22221819
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
1-(3-tert-butyl-5-methoxyphenyl)propan-1-one
CID 147927308
2,6-ditert-butyl-4-methoxyphenol
CID 10269
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
bis(3,5-ditert-butylphenyl) 5-hydroxybenzene-1,3-dicarboxylate
CID 22679071
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
3-amino-5-methoxyphenol;hydrochloride
CID 75480347
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxyphenol;dioxotitanium?
The IUPAC name of 3-tert-butyl-5-methoxyphenol;dioxotitanium (CID 174468851) is 3-tert-butyl-5-methoxyphenol;dioxotitanium.
What is the SMILES notation for 3-tert-butyl-5-methoxyphenol;dioxotitanium?
The canonical SMILES for 3-tert-butyl-5-methoxyphenol;dioxotitanium is COc1cc(O)cc(C(C)(C)C)c1.O=[Ti]=O.
What is the InChIKey of 3-tert-butyl-5-methoxyphenol;dioxotitanium?
The InChIKey is JAKUADRRMJTTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.2O.Ti/c1-11(2,3)8-5-9(12)7-10(6-8)13-4;;;/h5-7,12H,1-4H3;;;.
What are the key properties of 3-tert-butyl-5-methoxyphenol;dioxotitanium?
3-tert-butyl-5-methoxyphenol;dioxotitanium has a molecular weight of 260.11 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methoxyphenol;dioxotitanium is sourced from PubChem (CID 174468851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).