2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol

C14H20ClNO3 — CID 18359010

IUPAC2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol
SMILESCOCOC1CCN(C(CO)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO3/c1-18-10-19-13-5-6-16(8-13)14(9-17)11-3-2-4-12(15)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3
InChIKeyKRNDRQIFDSTOSS-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol

2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol (PubChem CID 18359010) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol
PubChem CID18359010
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol
SMILESCOCOC1CCN(C(CO)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO3/c1-18-10-19-13-5-6-16(8-13)14(9-17)11-3-2-4-12(15)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3
InChIKeyKRNDRQIFDSTOSS-UHFFFAOYSA-N
XLogP2.07
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

rac-tert-butyl (2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 165768729
2-(3-Chloro-2-fluorophenyl)-1-ethyl-3-methoxypyrrolidine
CID 90124018
2-(4-Chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol
CID 90695619
2-(4-Chloro-3-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 90708728
2-(2-Chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 90759129
2-(3-Chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 90765003
2-(2-Chloro-3-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 90786211
2-(4-Chloro-3-fluorophenyl)-1-propylpyrrolidin-3-ol
CID 90800290
2-(2-Chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol
CID 90924001
2-(4-Chloro-2-fluorophenyl)-1-propylpyrrolidin-3-ol
CID 90936815
2-(3-Chloro-2-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 90948083
2-(3-Chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 90964447

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol (CID 18359010) is 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol is COCOC1CCN(C(CO)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol?
The InChIKey is KRNDRQIFDSTOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-10-19-13-5-6-16(8-13)14(9-17)11-3-2-4-12(15)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol?
2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol has a molecular weight of 285.77 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 18359010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).