3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C15H21Cl2NO2 — CID 83941206

IUPAC3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(CCO)N1CCCC1
InChIInChI=1S/C15H21Cl2NO2/c1-2-20-15-12(9-11(16)10-13(15)17)14(5-8-19)18-6-3-4-7-18/h9-10,14,19H,2-8H2,1H3
InChIKeyZAOJOHUUHSIXPV-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.91
Rot. Bonds6

About 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83941206) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83941206
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(CCO)N1CCCC1
InChIInChI=1S/C15H21Cl2NO2/c1-2-20-15-12(9-11(16)10-13(15)17)14(5-8-19)18-6-3-4-7-18/h9-10,14,19H,2-8H2,1H3
InChIKeyZAOJOHUUHSIXPV-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83937613
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83941084
(3S)-3-(3-chloro-4-ethoxy-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174813
(3R)-3-piperazin-1-yl-3-(2,3,5-trichlorophenyl)propan-1-ol;hydrochloride
CID 171189293
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83942051
3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83921882
5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
CID 83941281
(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95486981
(4R)-4-(3-chloro-4-ethoxy-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174064
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83941206) is 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CCOc1c(Cl)cc(Cl)cc1C(CCO)N1CCCC1.
What is the InChIKey of 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is ZAOJOHUUHSIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-2-20-15-12(9-11(16)10-13(15)17)14(5-8-19)18-6-3-4-7-18/h9-10,14,19H,2-8H2,1H3.
What are the key properties of 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 318.24 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83941206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).