[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol

C15H11F5O3 — CID 171382948

IUPAC[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccccc2OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C15H11F5O3/c16-14(17)22-13-7-9(5-6-10(13)8-21)11-3-1-2-4-12(11)23-15(18,19)20/h1-7,14,21H,8H2
InChIKeyQYMNWBDJVJVVSK-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.35
Rot. Bonds5

About [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol

[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol (PubChem CID 171382948) has the molecular formula C15H11F5O3 and a molecular weight of 334.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
PubChem CID171382948
Molecular FormulaC15H11F5O3
Molecular Weight334.24 g/mol
Exact Mass334.06
IUPAC Name[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccccc2OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C15H11F5O3/c16-14(17)22-13-7-9(5-6-10(13)8-21)11-3-1-2-4-12(11)23-15(18,19)20/h1-7,14,21H,8H2
InChIKeyQYMNWBDJVJVVSK-UHFFFAOYSA-N
XLogP4.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)-4-(2-methylphenyl)phenyl]methanol
CID 171382943
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133089327
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-(difluoromethoxy)-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134617209
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 171382794
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol?
The IUPAC name of [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol (CID 171382948) is [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol.
What is the SMILES notation for [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol?
The canonical SMILES for [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol is OCc1ccc(-c2ccccc2OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol?
The InChIKey is QYMNWBDJVJVVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O3/c16-14(17)22-13-7-9(5-6-10(13)8-21)11-3-1-2-4-12(11)23-15(18,19)20/h1-7,14,21H,8H2.
What are the key properties of [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol?
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol has a molecular weight of 334.24 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol is sourced from PubChem (CID 171382948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).