4-(2,6-dichlorophenoxy)pyrrolidin-3-ol

C10H11Cl2NO2 — CID 13320223

IUPAC4-(2,6-dichlorophenoxy)pyrrolidin-3-ol
SMILESOC1CNCC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-6-2-1-3-7(12)10(6)15-9-5-13-4-8(9)14/h1-3,8-9,13-14H,4-5H2
InChIKeyZXIDMMHTXZOWDR-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.70
Rot. Bonds2

About 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol

4-(2,6-dichlorophenoxy)pyrrolidin-3-ol (PubChem CID 13320223) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)pyrrolidin-3-ol
PubChem CID13320223
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name4-(2,6-dichlorophenoxy)pyrrolidin-3-ol
SMILESOC1CNCC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-6-2-1-3-7(12)10(6)15-9-5-13-4-8(9)14/h1-3,8-9,13-14H,4-5H2
InChIKeyZXIDMMHTXZOWDR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
(3S,4S)-4-(2,3,4,5,6-pentafluorophenoxy)pyrrolidin-3-ol
CID 114203459
4-naphthalen-1-yloxypyrrolidin-3-ol
CID 13192217
4-[(2-chlorophenyl)methoxy]pyrrolidin-3-ol
CID 63701872
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
4-(4-iodophenoxy)pyrrolidin-3-ol
CID 63702649
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277
4-(3-ethoxyphenoxy)pyrrolidin-3-ol
CID 63704227
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol
CID 64600987
4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol (CID 13320223) is 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol is OC1CNCC1Oc1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol?
The InChIKey is ZXIDMMHTXZOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-6-2-1-3-7(12)10(6)15-9-5-13-4-8(9)14/h1-3,8-9,13-14H,4-5H2.
What are the key properties of 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol?
4-(2,6-dichlorophenoxy)pyrrolidin-3-ol has a molecular weight of 248.11 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 13320223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).