(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C19H19Cl2NO2 — CID 141341679

IUPAC(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN([C@H]2Cc3ccc(Cl)cc3[C@@H]2Oc2ccccc2Cl)C1
InChIInChI=1S/C19H19Cl2NO2/c20-13-6-5-12-9-17(22-8-7-14(23)11-22)19(15(12)10-13)24-18-4-2-1-3-16(18)21/h1-6,10,14,17,19,23H,7-9,11H2/t14-,17+,19+/m1/s1
InChIKeyBYCIJRRGLXBTRR-LJHODMEESA-N
MW364.27 g/mol
LogP4.10
Rot. Bonds3

About (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 141341679) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID141341679
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN([C@H]2Cc3ccc(Cl)cc3[C@@H]2Oc2ccccc2Cl)C1
InChIInChI=1S/C19H19Cl2NO2/c20-13-6-5-12-9-17(22-8-7-14(23)11-22)19(15(12)10-13)24-18-4-2-1-3-16(18)21/h1-6,10,14,17,19,23H,7-9,11H2/t14-,17+,19+/m1/s1
InChIKeyBYCIJRRGLXBTRR-LJHODMEESA-N
XLogP4.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-[[(1S,2S)-6-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3,5-dimethyl-1,2,4-triazole
CID 58393554
(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 141341706
(3R)-1-[(1S,2S)-6-chloro-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393811
1-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
CID 58393757
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one
CID 58393680
4-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzenesulfonamide
CID 67311249
3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
CID 67311074
1-[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3H-pyrrol-2-one
CID 58394203
1-[(1S,2S)-6-chloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67309607
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,3-dimethylphenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67311481
4-[[(1R,2R)-2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzoic acid
CID 123759305
3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67310481

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 141341679) is (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is O[C@@H]1CCN([C@H]2Cc3ccc(Cl)cc3[C@@H]2Oc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is BYCIJRRGLXBTRR-LJHODMEESA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-13-6-5-12-9-17(22-8-7-14(23)11-22)19(15(12)10-13)24-18-4-2-1-3-16(18)21/h1-6,10,14,17,19,23H,7-9,11H2/t14-,17+,19+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 364.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-6-chloro-1-(2-chlorophenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 141341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).