2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol

C15H21F3O2 — CID 143028560

IUPAC2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol
SMILESCC(C)c1cc(C(CO)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C15H21F3O2/c1-8(2)11-5-10(13(7-19)15(16,17)18)6-12(9(3)4)14(11)20/h5-6,8-9,13,19-20H,7H2,1-4H3
InChIKeyIKLMSVPHPCNGKX-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.28
Rot. Bonds4

About 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol

2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol (PubChem CID 143028560) has the molecular formula C15H21F3O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol
PubChem CID143028560
Molecular FormulaC15H21F3O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol
SMILESCC(C)c1cc(C(CO)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C15H21F3O2/c1-8(2)11-5-10(13(7-19)15(16,17)18)6-12(9(3)4)14(11)20/h5-6,8-9,13,19-20H,7H2,1-4H3
InChIKeyIKLMSVPHPCNGKX-UHFFFAOYSA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 31404
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CID 7311
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CID 4943
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CID 72303
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CID 10698
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CID 17004
CID 17004
CID 20087
CID 20087
CID 31405
CID 31405
CID 6929
CID 6929
CID 8455
CID 8455
CID 86583
CID 86583
CID 79717
CID 79717

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol?
The IUPAC name of 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol (CID 143028560) is 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol is CC(C)c1cc(C(CO)C(F)(F)F)cc(C(C)C)c1O.
What is the InChIKey of 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol?
The InChIKey is IKLMSVPHPCNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-8(2)11-5-10(13(7-19)15(16,17)18)6-12(9(3)4)14(11)20/h5-6,8-9,13,19-20H,7H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol?
2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol has a molecular weight of 290.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 143028560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).