1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol

C17H20BrNO3 — CID 2951105

IUPAC1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCOCC1
InChIInChI=1S/C17H20BrNO3/c18-15-3-1-14-10-17(4-2-13(14)9-15)22-12-16(20)11-19-5-7-21-8-6-19/h1-4,9-10,16,20H,5-8,11-12H2
InChIKeyZFQRIWZXQYJFQZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.67
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol

1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 2951105) has the molecular formula C17H20BrNO3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID2951105
Molecular FormulaC17H20BrNO3
Molecular Weight366.25 g/mol
Exact Mass365.06
IUPAC Name1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCOCC1
InChIInChI=1S/C17H20BrNO3/c18-15-3-1-14-10-17(4-2-13(14)9-15)22-12-16(20)11-19-5-7-21-8-6-19/h1-4,9-10,16,20H,5-8,11-12H2
InChIKeyZFQRIWZXQYJFQZ-UHFFFAOYSA-N
XLogP2.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol (CID 2951105) is 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol is OC(COc1ccc2cc(Br)ccc2c1)CN1CCOCC1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZFQRIWZXQYJFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c18-15-3-1-14-10-17(4-2-13(14)9-15)22-12-16(20)11-19-5-7-21-8-6-19/h1-4,9-10,16,20H,5-8,11-12H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 366.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2951105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).