1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol

C16H23F3O2 — CID 103210128

IUPAC1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCC(C)c1ccc(C(O)COCC(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C16H23F3O2/c1-10(2)12-5-6-13(14(7-12)11(3)4)15(20)8-21-9-16(17,18)19/h5-7,10-11,15,20H,8-9H2,1-4H3
InChIKeyHWKYIRZLNJFAAL-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.55
Rot. Bonds6

About 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol

1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103210128) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103210128
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCC(C)c1ccc(C(O)COCC(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C16H23F3O2/c1-10(2)12-5-6-13(14(7-12)11(3)4)15(20)8-21-9-16(17,18)19/h5-7,10-11,15,20H,8-9H2,1-4H3
InChIKeyHWKYIRZLNJFAAL-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
2-[2-amino-2-[2,4-di(propan-2-yl)phenyl]ethoxy]acetamide
CID 61328573
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol (CID 103210128) is 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol is CC(C)c1ccc(C(O)COCC(F)(F)F)c(C(C)C)c1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is HWKYIRZLNJFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-10(2)12-5-6-13(14(7-12)11(3)4)15(20)8-21-9-16(17,18)19/h5-7,10-11,15,20H,8-9H2,1-4H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol?
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 304.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103210128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).