(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol

C26H24F6O4 — CID 87605122

IUPAC(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol
SMILESCOc1ccc(COC(c2ccc(O[C@@H](CO)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H24F6O4/c1-34-21-11-7-19(8-12-21)17-35-24(25(27,28)29,26(30,31)32)20-9-13-22(14-10-20)36-23(16-33)15-18-5-3-2-4-6-18/h2-14,23,33H,15-17H2,1H3/t23-/m1/s1
InChIKeyNCZHSCYBEFPHLF-HSZRJFAPSA-N
MW514.46 g/mol
LogP6.21
Rot. Bonds10

About (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol

(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol (PubChem CID 87605122) has the molecular formula C26H24F6O4 and a molecular weight of 514.46 g/mol. Its IUPAC name is (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol
PubChem CID87605122
Molecular FormulaC26H24F6O4
Molecular Weight514.46 g/mol
Exact Mass514.16
IUPAC Name(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol
SMILESCOc1ccc(COC(c2ccc(O[C@@H](CO)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C26H24F6O4/c1-34-21-11-7-19(8-12-21)17-35-24(25(27,28)29,26(30,31)32)20-9-13-22(14-10-20)36-23(16-33)15-18-5-3-2-4-6-18/h2-14,23,33H,15-17H2,1H3/t23-/m1/s1
InChIKeyNCZHSCYBEFPHLF-HSZRJFAPSA-N
XLogP6.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.46
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-4-[(2R)-1-phenylpropan-2-yl]oxybenzene
CID 87866078
methyl 3-[4-[(2S)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methylphenoxy]-3-phenylpropoxy]phenyl]propanoate
CID 86604231
2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
CID 86604223
1-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 87908642
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
CID 59024475
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol (CID 87605122) is (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol is COc1ccc(COC(c2ccc(O[C@@H](CO)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol?
The InChIKey is NCZHSCYBEFPHLF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24F6O4/c1-34-21-11-7-19(8-12-21)17-35-24(25(27,28)29,26(30,31)32)20-9-13-22(14-10-20)36-23(16-33)15-18-5-3-2-4-6-18/h2-14,23,33H,15-17H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol?
(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol has a molecular weight of 514.46 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol is sourced from PubChem (CID 87605122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).