1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol

C18H19BrClNO2 — CID 11326950

IUPAC1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2
InChIKeyLIROUCJHJSDZPV-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.25
Rot. Bonds5

About 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol

1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 11326950) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol
PubChem CID11326950
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2
InChIKeyLIROUCJHJSDZPV-UHFFFAOYSA-N
XLogP4.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)morpholine
CID 11188669
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716524
(2-(4-Chlorobenzyloxy)-5-bromophenyl)methanamine
CID 11267381
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxy-piperidine
CID 11166533
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
CID 11177360
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 11189082
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethyl-methanamine
CID 11210440
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-one
CID 11246827
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-fluoropiperidine
CID 44431944
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-(trifluoromethyl)piperidin-4-ol
CID 44431959
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-(aminomethyl)piperidin-4-ol
CID 44431962
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-((4-methylpiperazin-1-yl)methyl)piperidin-4-ol
CID 44431967

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol (CID 11326950) is 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol is OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is LIROUCJHJSDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2.
What are the key properties of 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol?
1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 396.71 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 11326950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).