2-tert-butyl-5-chlorophenol;titanium;dihydrochloride

C10H15Cl3OTi — CID 174423474

IUPAC2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
SMILESCC(C)(C)c1ccc(Cl)cc1O.Cl.Cl.[Ti]
InChIInChI=1S/C10H13ClO.2ClH.Ti/c1-10(2,3)8-5-4-7(11)6-9(8)12;;;/h4-6,12H,1-3H3;2*1H;
InChIKeyRCTJJTAFAQVBLM-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.18
Rot. Bonds

About 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride

2-tert-butyl-5-chlorophenol;titanium;dihydrochloride (PubChem CID 174423474) has the molecular formula C10H15Cl3OTi and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride.

Molecular Properties

Compound Name2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
PubChem CID174423474
Molecular FormulaC10H15Cl3OTi
Molecular Weight305.45 g/mol
Exact Mass303.97
IUPAC Name2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
SMILESCC(C)(C)c1ccc(Cl)cc1O.Cl.Cl.[Ti]
InChIInChI=1S/C10H13ClO.2ClH.Ti/c1-10(2,3)8-5-4-7(11)6-9(8)12;;;/h4-6,12H,1-3H3;2*1H;
InChIKeyRCTJJTAFAQVBLM-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
CID 83699928
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
CID 84791951
2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-chlorophenol
CID 136603821
2-tert-butyl-5-chloro-4-(difluoromethyl)phenol
CID 167323133
(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate
CID 87705935
CID 131883434
CID 131883434

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride?
The IUPAC name of 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride (CID 174423474) is 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride.
What is the SMILES notation for 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride?
The canonical SMILES for 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride is CC(C)(C)c1ccc(Cl)cc1O.Cl.Cl.[Ti].
What is the InChIKey of 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride?
The InChIKey is RCTJJTAFAQVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO.2ClH.Ti/c1-10(2,3)8-5-4-7(11)6-9(8)12;;;/h4-6,12H,1-3H3;2*1H;.
What are the key properties of 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride?
2-tert-butyl-5-chlorophenol;titanium;dihydrochloride has a molecular weight of 305.45 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chlorophenol;titanium;dihydrochloride is sourced from PubChem (CID 174423474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).