4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol

C18H25NO3 — CID 70956384

IUPAC4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol
SMILESCOC1CCC2(CC1)NCOC(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C18H25NO3/c1-12-4-5-13(2)15(10-12)16-17(20)18(19-11-22-16)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3
InChIKeyYMDAINYIMZYGPZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.44
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol

4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol (PubChem CID 70956384) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol
PubChem CID70956384
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol
SMILESCOC1CCC2(CC1)NCOC(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C18H25NO3/c1-12-4-5-13(2)15(10-12)16-17(20)18(19-11-22-16)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3
InChIKeyYMDAINYIMZYGPZ-UHFFFAOYSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol?
The IUPAC name of 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol (CID 70956384) is 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol?
The canonical SMILES for 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol is COC1CCC2(CC1)NCOC(c1cc(C)ccc1C)=C2O.
What is the InChIKey of 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol?
The InChIKey is YMDAINYIMZYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-4-5-13(2)15(10-12)16-17(20)18(19-11-22-16)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol?
4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol has a molecular weight of 303.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-ol is sourced from PubChem (CID 70956384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).