4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene

C12H15F3O2 — CID 168922264

IUPAC4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCOCc1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-8(2)17-11-5-4-9(7-16-3)6-10(11)12(13,14)15/h4-6,8H,7H2,1-3H3
InChIKeyGYGCQGVXTZKFQI-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.64
Rot. Bonds4

About 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene

4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene (PubChem CID 168922264) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
PubChem CID168922264
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCOCc1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-8(2)17-11-5-4-9(7-16-3)6-10(11)12(13,14)15/h4-6,8H,7H2,1-3H3
InChIKeyGYGCQGVXTZKFQI-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
2-[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 177379479
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
CID 123354447
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
N-[[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320254
4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 166687454
N-[[4-but-3-en-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63319979
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-amine
CID 117299291

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene (CID 168922264) is 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene is COCc1ccc(OC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The InChIKey is GYGCQGVXTZKFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8(2)17-11-5-4-9(7-16-3)6-10(11)12(13,14)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene has a molecular weight of 248.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 168922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).