(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C19H19Cl2NO2 — CID 141341706

IUPAC(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccccc2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-12-8-16-15(17(21)9-12)10-18(22-7-6-13(23)11-22)19(16)24-14-4-2-1-3-5-14/h1-5,8-9,13,18-19,23H,6-7,10-11H2/t13-,18+,19+/m1/s1
InChIKeyFGRFZPBXBCDZAC-VMDGZTHMSA-N
MW364.27 g/mol
LogP4.10
Rot. Bonds3

About (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 141341706) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID141341706
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccccc2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-12-8-16-15(17(21)9-12)10-18(22-7-6-13(23)11-22)19(16)24-14-4-2-1-3-5-14/h1-5,8-9,13,18-19,23H,6-7,10-11H2/t13-,18+,19+/m1/s1
InChIKeyFGRFZPBXBCDZAC-VMDGZTHMSA-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

(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393493
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67337392
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
1-[4-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-methylimidazol-2-one
CID 67310278
(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 58393865
1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
CID 67309877
(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393849
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(5-methyltetrazol-1-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393605
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58394109
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67337206
1-[(1S,2S)-4,6-dichloro-1-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310643
2-[4-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-4-ethyl-5-methyl-1,2,4-triazol-3-one
CID 67311187

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 141341706) is (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is O[C@@H]1CCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is FGRFZPBXBCDZAC-VMDGZTHMSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-12-8-16-15(17(21)9-12)10-18(22-7-6-13(23)11-22)19(16)24-14-4-2-1-3-5-14/h1-5,8-9,13,18-19,23H,6-7,10-11H2/t13-,18+,19+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-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)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 141341706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).