4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile

C15H10F3NO2 — CID 115467793

IUPAC4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCc2ccc(O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(20)5-2-10/h1-7,20H,9H2
InChIKeyKDZMHPHHWFTKEM-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.86
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile

4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 115467793) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
PubChem CID115467793
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCc2ccc(O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(20)5-2-10/h1-7,20H,9H2
InChIKeyKDZMHPHHWFTKEM-UHFFFAOYSA-N
XLogP3.86
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 102881178
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-(3-bromopropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467663
4-(4-sulfanylbutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468395
4-(3-oxobutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468237
4-(3-methylbut-3-enoxy)-3-(trifluoromethyl)benzonitrile
CID 114472632
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467860
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467670
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile (CID 115467793) is 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCc2ccc(O)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is KDZMHPHHWFTKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(20)5-2-10/h1-7,20H,9H2.
What are the key properties of 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile?
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile has a molecular weight of 293.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115467793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).