2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol

C12H15Cl2NO — CID 117028575

IUPAC2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-10(8-12(11)14)15-6-1-2-9(15)5-7-16/h3-4,8-9,16H,1-2,5-7H2
InChIKeyYYKNAYFKMRZUQO-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol

2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol (PubChem CID 117028575) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
PubChem CID117028575
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-10(8-12(11)14)15-6-1-2-9(15)5-7-16/h3-4,8-9,16H,1-2,5-7H2
InChIKeyYYKNAYFKMRZUQO-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol (CID 117028575) is 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol is OCCC1CCCN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol?
The InChIKey is YYKNAYFKMRZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-4-3-10(8-12(11)14)15-6-1-2-9(15)5-7-16/h3-4,8-9,16H,1-2,5-7H2.
What are the key properties of 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol?
2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol has a molecular weight of 260.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).