2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

C23H24F3NO3 — CID 150942360

IUPAC2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C=C2C(F)(F)F
InChIInChI=1S/C23H24F3NO3/c24-23(25,26)20-15-21(30-22-14-17(28)6-9-19(20)22)16-4-7-18(8-5-16)29-13-12-27-10-2-1-3-11-27/h4-9,14-15,21,28H,1-3,10-13H2
InChIKeyLIHZEDGYCTXFSZ-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.34
Rot. Bonds5

About 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (PubChem CID 150942360) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
PubChem CID150942360
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C=C2C(F)(F)F
InChIInChI=1S/C23H24F3NO3/c24-23(25,26)20-15-21(30-22-14-17(28)6-9-19(20)22)16-4-7-18(8-5-16)29-13-12-27-10-2-1-3-11-27/h4-9,14-15,21,28H,1-3,10-13H2
InChIKeyLIHZEDGYCTXFSZ-UHFFFAOYSA-N
XLogP5.34
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10141600
4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676726
(2R)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676723
3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
CID 19609528
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
(3R,4S)-3-(2,3,4,5,6-pentafluorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 86757590
[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 161151245
3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol
CID 74047256
[6-[4-(2-piperidin-1-ylethoxy)phenyl]-9-(trifluoromethylsulfonyloxy)-6H-[1]benzothiolo[3,2-c]chromen-3-yl] trifluoromethanesulfonate
CID 15871363
8-methylsulfanyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 59804100
8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
CID 67004744
4-[(2S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
CID 16656741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (CID 150942360) is 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C=C2C(F)(F)F.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The InChIKey is LIHZEDGYCTXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c24-23(25,26)20-15-21(30-22-14-17(28)6-9-19(20)22)16-4-7-18(8-5-16)29-13-12-27-10-2-1-3-11-27/h4-9,14-15,21,28H,1-3,10-13H2.
What are the key properties of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol has a molecular weight of 419.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is sourced from PubChem (CID 150942360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).