1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C25H25F2NO2 — CID 15945201

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C25H25F2NO2/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28/h1-12,24-25,29H,13-17H2
InChIKeyCYHBKMMUFASPIH-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.49
Rot. Bonds7

About 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 15945201) has the molecular formula C25H25F2NO2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID15945201
Molecular FormulaC25H25F2NO2
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C25H25F2NO2/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28/h1-12,24-25,29H,13-17H2
InChIKeyCYHBKMMUFASPIH-UHFFFAOYSA-N
XLogP4.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 8009015
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]methyl]phenol
CID 129062379
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 15945201) is 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is CYHBKMMUFASPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO2/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28/h1-12,24-25,29H,13-17H2.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 409.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 15945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).