[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol

C14H20ClNO2 — CID 111442585

IUPAC[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO2/c15-13-3-1-4-14(9-13)18-8-2-6-16-7-5-12(10-16)11-17/h1,3-4,9,12,17H,2,5-8,10-11H2
InChIKeyKSHJWZHLMKVMQV-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.42
Rot. Bonds6

About [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol

[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol (PubChem CID 111442585) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
PubChem CID111442585
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO2/c15-13-3-1-4-14(9-13)18-8-2-6-16-7-5-12(10-16)11-17/h1,3-4,9,12,17H,2,5-8,10-11H2
InChIKeyKSHJWZHLMKVMQV-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
CID 142203164
(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine
CID 18394749
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol (CID 111442585) is [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCCOc2cccc(Cl)c2)C1.
What is the InChIKey of [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is KSHJWZHLMKVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-3-1-4-14(9-13)18-8-2-6-16-7-5-12(10-16)11-17/h1,3-4,9,12,17H,2,5-8,10-11H2.
What are the key properties of [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol?
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).