1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol

C14H20BrNO3 — CID 110921512

IUPAC1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESOC[C@H]1CCCN1CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c15-11-3-5-14(6-4-11)19-10-13(18)8-16-7-1-2-12(16)9-17/h3-6,12-13,17-18H,1-2,7-10H2/t12-,13?/m1/s1
InChIKeyIDMBYROZQKKTKC-PZORYLMUSA-N
MW330.22 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol

1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 110921512) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID110921512
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESOC[C@H]1CCCN1CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c15-11-3-5-14(6-4-11)19-10-13(18)8-16-7-1-2-12(16)9-17/h3-6,12-13,17-18H,1-2,7-10H2/t12-,13?/m1/s1
InChIKeyIDMBYROZQKKTKC-PZORYLMUSA-N
XLogP1.65
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921385
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
1-(4-bromophenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 60632855
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
4-[2-hydroxy-3-[2-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 111750629
1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 110929763
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol (CID 110921512) is 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol is OC[C@H]1CCCN1CC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is IDMBYROZQKKTKC-PZORYLMUSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-11-3-5-14(6-4-11)19-10-13(18)8-16-7-1-2-12(16)9-17/h3-6,12-13,17-18H,1-2,7-10H2/t12-,13?/m1/s1.
What are the key properties of 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 330.22 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 110921512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).