[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol

C13H15F3O2 — CID 55204148

IUPAC[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESCC(C)=CCOc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-9(2)5-6-18-12-4-3-10(8-17)7-11(12)13(14,15)16/h3-5,7,17H,6,8H2,1-2H3
InChIKeyXSLXOHSXRHGYED-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.54
Rot. Bonds4

About [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 55204148) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID55204148
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESCC(C)=CCOc1ccc(CO)cc1C(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-9(2)5-6-18-12-4-3-10(8-17)7-11(12)13(14,15)16/h3-5,7,17H,6,8H2,1-2H3
InChIKeyXSLXOHSXRHGYED-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226
[4-(hydroxymethyl)-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533131
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
CID 107043845
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320802
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol (CID 55204148) is [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol is CC(C)=CCOc1ccc(CO)cc1C(F)(F)F.
What is the InChIKey of [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is XSLXOHSXRHGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9(2)5-6-18-12-4-3-10(8-17)7-11(12)13(14,15)16/h3-5,7,17H,6,8H2,1-2H3.
What are the key properties of [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 260.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 55204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).