1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol

C17H20BrNO2 — CID 2957321

IUPAC1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCCC1
InChIInChI=1S/C17H20BrNO2/c18-15-5-3-14-10-17(6-4-13(14)9-15)21-12-16(20)11-19-7-1-2-8-19/h3-6,9-10,16,20H,1-2,7-8,11-12H2
InChIKeyHGIDBTSZCANCBC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.44
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol

1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 2957321) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID2957321
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCCC1
InChIInChI=1S/C17H20BrNO2/c18-15-5-3-14-10-17(6-4-13(14)9-15)21-12-16(20)11-19-7-1-2-8-19/h3-6,9-10,16,20H,1-2,7-8,11-12H2
InChIKeyHGIDBTSZCANCBC-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol (CID 2957321) is 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol is OC(COc1ccc2cc(Br)ccc2c1)CN1CCCC1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HGIDBTSZCANCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-15-5-3-14-10-17(6-4-13(14)9-15)21-12-16(20)11-19-7-1-2-8-19/h3-6,9-10,16,20H,1-2,7-8,11-12H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol?
1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)oxy-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 2957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).