3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

C28H26F3NO4 — CID 10141600

IUPAC3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C28H26F3NO4/c29-28(30,31)26-23-12-9-21(34)17-24(23)36-27(25(26)18-3-7-20(33)8-4-18)19-5-10-22(11-6-19)35-16-15-32-13-1-2-14-32/h3-12,17,27,33-34H,1-2,13-16H2
InChIKeyVZDMZCPMVADPLB-UHFFFAOYSA-N
MW497.51 g/mol
LogP6.18
Rot. Bonds6

About 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol

3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (PubChem CID 10141600) has the molecular formula C28H26F3NO4 and a molecular weight of 497.51 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
PubChem CID10141600
Molecular FormulaC28H26F3NO4
Molecular Weight497.51 g/mol
Exact Mass497.18
IUPAC Name3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C28H26F3NO4/c29-28(30,31)26-23-12-9-21(34)17-24(23)36-27(25(26)18-3-7-20(33)8-4-18)19-5-10-22(11-6-19)35-16-15-32-13-1-2-14-32/h3-12,17,27,33-34H,1-2,13-16H2
InChIKeyVZDMZCPMVADPLB-UHFFFAOYSA-N
XLogP6.18
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.51
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-2-[4-(3-thiomorpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10280589
4-[(2S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
CID 16656741
(2R)-4-ethyl-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
CID 121423225
3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
CID 19609528
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 150942360
(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
3-(4-hydroxyphenyl)-2-[4-[2-[methyl(3-phenylpropyl)amino]ethoxy]phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10231776
[4-[(2S)-7-(2,2-dimethylpropanoyloxy)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol;chloride
CID 158866042
1-[2-[4-[(2S)-4,7-dimethyl-3-(4-methylphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine;ethane
CID 143701534
[(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
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol (CID 10141600) is 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is Oc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
The InChIKey is VZDMZCPMVADPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3NO4/c29-28(30,31)26-23-12-9-21(34)17-24(23)36-27(25(26)18-3-7-20(33)8-4-18)19-5-10-22(11-6-19)35-16-15-32-13-1-2-14-32/h3-12,17,27,33-34H,1-2,13-16H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol?
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol has a molecular weight of 497.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol is sourced from PubChem (CID 10141600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).