[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol

C22H22F2O3 — CID 70007811

IUPAC[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
SMILESCCO.OCc1cc(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C20H16F2O2.C2H6O/c21-18-10-15(12-23)11-19(22)20(18)16-6-8-17(9-7-16)24-13-14-4-2-1-3-5-14;1-2-3/h1-11,23H,12-13H2;3H,2H2,1H3
InChIKeyWHPJDGVWUZXMML-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.70
Rot. Bonds5

About [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol

[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol (PubChem CID 70007811) has the molecular formula C22H22F2O3 and a molecular weight of 372.41 g/mol. Its IUPAC name is [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
PubChem CID70007811
Molecular FormulaC22H22F2O3
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
SMILESCCO.OCc1cc(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C20H16F2O2.C2H6O/c21-18-10-15(12-23)11-19(22)20(18)16-6-8-17(9-7-16)24-13-14-4-2-1-3-5-14;1-2-3/h1-11,23H,12-13H2;3H,2H2,1H3
InChIKeyWHPJDGVWUZXMML-UHFFFAOYSA-N
XLogP4.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
4-[2,6-difluoro-4-(hydroxymethyl)phenyl]phenol
CID 22669988
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
CID 170919037
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol?
The IUPAC name of [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol (CID 70007811) is [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol.
What is the SMILES notation for [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol?
The canonical SMILES for [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol is CCO.OCc1cc(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol?
The InChIKey is WHPJDGVWUZXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2.C2H6O/c21-18-10-15(12-23)11-19(22)20(18)16-6-8-17(9-7-16)24-13-14-4-2-1-3-5-14;1-2-3/h1-11,23H,12-13H2;3H,2H2,1H3.
What are the key properties of [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol?
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol has a molecular weight of 372.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol is sourced from PubChem (CID 70007811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).