[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol

C22H20Cl2N2O3 — CID 170313502

IUPAC[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESOCc1cc(Oc2cccc(Cl)c2)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C22H20Cl2N2O3/c23-16-3-1-4-17(12-16)28-18-6-7-21(15(11-18)14-27)26-10-8-19(13-26)29-22-20(24)5-2-9-25-22/h1-7,9,11-12,19,27H,8,10,13-14H2
InChIKeyWEQVASXMYFZITB-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.33
Rot. Bonds6

About [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol

[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol (PubChem CID 170313502) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
PubChem CID170313502
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESOCc1cc(Oc2cccc(Cl)c2)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C22H20Cl2N2O3/c23-16-3-1-4-17(12-16)28-18-6-7-21(15(11-18)14-27)26-10-8-19(13-26)29-22-20(24)5-2-9-25-22/h1-7,9,11-12,19,27H,8,10,13-14H2
InChIKeyWEQVASXMYFZITB-UHFFFAOYSA-N
XLogP5.33
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol 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

[5-(6-chloro-5-ethylpyrimidin-4-yl)oxy-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 156815318
methyl 4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)benzoate
CID 156814660
[4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 166683324
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
(2-chlorophenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156815660
[4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]-(6-ethylcyclohexa-1,5-dien-1-yl)methanol
CID 156815464
2-[2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[hydroxy-(4-methylphenyl)methyl]phenyl]ethanol
CID 156815413
2-[2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(2-ethylphenyl)sulfanylphenyl]ethanol
CID 166004260
3-chloro-2-[(3S)-1-[4-(2-chlorophenyl)-2-isocyanophenyl]pyrrolidin-3-yl]oxypyridine
CID 166004349
(2-chlorophenyl)-[3-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-(2-hydroxyethyl)phenyl]methanone
CID 156815577
4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide
CID 166683343
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxybenzamide
CID 156814477

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The IUPAC name of [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol (CID 170313502) is [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol.
What is the SMILES notation for [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The canonical SMILES for [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol is OCc1cc(Oc2cccc(Cl)c2)ccc1N1CCC(Oc2ncccc2Cl)C1.
What is the InChIKey of [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The InChIKey is WEQVASXMYFZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c23-16-3-1-4-17(12-16)28-18-6-7-21(15(11-18)14-27)26-10-8-19(13-26)29-22-20(24)5-2-9-25-22/h1-7,9,11-12,19,27H,8,10,13-14H2.
What are the key properties of [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol has a molecular weight of 431.32 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 170313502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).