2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride

C12H19FO — CID 157336845

IUPAC2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
SMILESCOc1ccc(C)c(C(C)(C)C)c1.F
InChIInChI=1S/C12H18O.FH/c1-9-6-7-10(13-5)8-11(9)12(2,3)4;/h6-8H,1-5H3;1H
InChIKeyBFXXEWWQENEHCD-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.45
Rot. Bonds1

About 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride

2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride (PubChem CID 157336845) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
PubChem CID157336845
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
SMILESCOc1ccc(C)c(C(C)(C)C)c1.F
InChIInChI=1S/C12H18O.FH/c1-9-6-7-10(13-5)8-11(9)12(2,3)4;/h6-8H,1-5H3;1H
InChIKeyBFXXEWWQENEHCD-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-4-methoxyphenolate
CID 19016621
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-tert-butyl-1-isocyano-4-methoxybenzene
CID 168769400
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
2-tert-butyl-4-methoxybenzenecarboperoxoic acid
CID 87332679
2,6-ditert-butyl-4-methoxyphenol
CID 10269
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
4-tert-butyl-2-ethyl-1-methylbenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methoxy-2-(trifluoromethyl)benzene;methane
CID 160602599

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride?
The IUPAC name of 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride (CID 157336845) is 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride.
What is the SMILES notation for 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride?
The canonical SMILES for 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride is COc1ccc(C)c(C(C)(C)C)c1.F.
What is the InChIKey of 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride?
The InChIKey is BFXXEWWQENEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.FH/c1-9-6-7-10(13-5)8-11(9)12(2,3)4;/h6-8H,1-5H3;1H.
What are the key properties of 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride?
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride has a molecular weight of 198.28 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride is sourced from PubChem (CID 157336845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).