2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene

C24H19ClF6O3 — CID 86604223

IUPAC2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
SMILESCOc1ccc(COC(c2ccc(OCc3ccccc3)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H19ClF6O3/c1-32-19-10-7-17(8-11-19)15-34-22(23(26,27)28,24(29,30)31)18-9-12-21(20(25)13-18)33-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
InChIKeyFMOZYEXXDJRVKK-UHFFFAOYSA-N
MW504.85 g/mol
LogP7.46
Rot. Bonds8

About 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene

2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene (PubChem CID 86604223) has the molecular formula C24H19ClF6O3 and a molecular weight of 504.85 g/mol. Its IUPAC name is 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
PubChem CID86604223
Molecular FormulaC24H19ClF6O3
Molecular Weight504.85 g/mol
Exact Mass504.09
IUPAC Name2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
SMILESCOc1ccc(COC(c2ccc(OCc3ccccc3)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H19ClF6O3/c1-32-19-10-7-17(8-11-19)15-34-22(23(26,27)28,24(29,30)31)18-9-12-21(20(25)13-18)33-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
InChIKeyFMOZYEXXDJRVKK-UHFFFAOYSA-N
XLogP7.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
CID 67742855
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol
CID 87605122
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
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-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene?
The IUPAC name of 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene (CID 86604223) is 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene.
What is the SMILES notation for 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene?
The canonical SMILES for 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene is COc1ccc(COC(c2ccc(OCc3ccccc3)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene?
The InChIKey is FMOZYEXXDJRVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF6O3/c1-32-19-10-7-17(8-11-19)15-34-22(23(26,27)28,24(29,30)31)18-9-12-21(20(25)13-18)33-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3.
What are the key properties of 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene?
2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene has a molecular weight of 504.85 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene is sourced from PubChem (CID 86604223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).