4-[difluoro(phenyl)methyl]phenol

C13H10F2O — CID 83855777

IUPAC4-[difluoro(phenyl)methyl]phenol
SMILESOc1ccc(C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C13H10F2O/c14-13(15,10-4-2-1-3-5-10)11-6-8-12(16)9-7-11/h1-9,16H
InChIKeyHJVSHTXSHUNQED-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.53
Rot. Bonds2

About 4-[difluoro(phenyl)methyl]phenol

4-[difluoro(phenyl)methyl]phenol (PubChem CID 83855777) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]phenol.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]phenol
PubChem CID83855777
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-[difluoro(phenyl)methyl]phenol
SMILESOc1ccc(C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C13H10F2O/c14-13(15,10-4-2-1-3-5-10)11-6-8-12(16)9-7-11/h1-9,16H
InChIKeyHJVSHTXSHUNQED-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol
CID 164897791
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
cesium;hydride;phenol
CID 173020520
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile
CID 101014908

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]phenol?
The IUPAC name of 4-[difluoro(phenyl)methyl]phenol (CID 83855777) is 4-[difluoro(phenyl)methyl]phenol.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]phenol?
The canonical SMILES for 4-[difluoro(phenyl)methyl]phenol is Oc1ccc(C(F)(F)c2ccccc2)cc1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]phenol?
The InChIKey is HJVSHTXSHUNQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c14-13(15,10-4-2-1-3-5-10)11-6-8-12(16)9-7-11/h1-9,16H.
What are the key properties of 4-[difluoro(phenyl)methyl]phenol?
4-[difluoro(phenyl)methyl]phenol has a molecular weight of 220.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]phenol is sourced from PubChem (CID 83855777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).