6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

C14H15Cl2NO2 — CID 75426260

IUPAC6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CCC2)C1
InChIInChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
InChIKeyDGXBFJCZWBOKKO-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.72
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (PubChem CID 75426260) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
PubChem CID75426260
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.18 g/mol
Exact Mass299.05
IUPAC Name6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CCC2)C1
InChIInChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
InChIKeyDGXBFJCZWBOKKO-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (CID 75426260) is 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The InChIKey is DGXBFJCZWBOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone has a molecular weight of 300.18 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 75426260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).