(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C17H18BrNO2 — CID 115354176

IUPAC(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H18BrNO2/c1-11(2)17(21)9-19(10-17)16(20)14-4-3-13-8-15(18)6-5-12(13)7-14/h3-8,11,21H,9-10H2,1-2H3
InChIKeySSYQIPXMHRYJOA-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.45
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 115354176) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID115354176
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H18BrNO2/c1-11(2)17(21)9-19(10-17)16(20)14-4-3-13-8-15(18)6-5-12(13)7-14/h3-8,11,21H,9-10H2,1-2H3
InChIKeySSYQIPXMHRYJOA-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 115354176) is (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is SSYQIPXMHRYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11(2)17(21)9-19(10-17)16(20)14-4-3-13-8-15(18)6-5-12(13)7-14/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 348.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 115354176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).