4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile

C15H10F3NO2 — CID 115468217

IUPAC4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(CO)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-12-4-1-10(9-20)2-5-12/h1-7,20H,9H2
InChIKeyBPICLNWHHRUOHL-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile

4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 115468217) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
PubChem CID115468217
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(CO)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-12-4-1-10(9-20)2-5-12/h1-7,20H,9H2
InChIKeyBPICLNWHHRUOHL-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-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467720
4-[4-[4,6-bis(2-hydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 123599881
4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
CID 66790483
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467793
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
4-[4-[4-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 141325300
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile (CID 115468217) is 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2ccc(CO)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is BPICLNWHHRUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)13-7-11(8-19)3-6-14(13)21-12-4-1-10(9-20)2-5-12/h1-7,20H,9H2.
What are the key properties of 4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile?
4-[4-(hydroxymethyl)phenoxy]-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-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115468217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).