8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one

C21H28BrNO3 — CID 24964253

IUPAC8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCC(Oc1ccc(Br)cc1)CC2
InChIInChI=1S/C21H28BrNO3/c22-15-1-7-18(8-2-15)26-19-9-11-21(12-10-19)13-14-23(20(21)25)16-3-5-17(24)6-4-16/h1-2,7-8,16-17,19,24H,3-6,9-14H2
InChIKeyVAAAPCRBNSCAHS-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.29
Rot. Bonds3

About 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one

8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 24964253) has the molecular formula C21H28BrNO3 and a molecular weight of 422.36 g/mol. Its IUPAC name is 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one
PubChem CID24964253
Molecular FormulaC21H28BrNO3
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCC(Oc1ccc(Br)cc1)CC2
InChIInChI=1S/C21H28BrNO3/c22-15-1-7-18(8-2-15)26-19-9-11-21(12-10-19)13-14-23(20(21)25)16-3-5-17(24)6-4-16/h1-2,7-8,16-17,19,24H,3-6,9-14H2
InChIKeyVAAAPCRBNSCAHS-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one (CID 24964253) is 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCC(Oc1ccc(Br)cc1)CC2.
What is the InChIKey of 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is VAAAPCRBNSCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrNO3/c22-15-1-7-18(8-2-15)26-19-9-11-21(12-10-19)13-14-23(20(21)25)16-3-5-17(24)6-4-16/h1-2,7-8,16-17,19,24H,3-6,9-14H2.
What are the key properties of 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one?
8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 422.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 24964253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).