[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

C18H25NO3 — CID 118195581

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC3(COC3)C2)cc(C(C)C)c1O
InChIInChI=1S/C18H25NO3/c1-11(2)14-5-13(6-15(12(3)4)16(14)20)17(21)19-7-18(8-19)9-22-10-18/h5-6,11-12,20H,7-10H2,1-4H3
InChIKeyNDXFXDNFSJKACZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.11
Rot. Bonds3

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (PubChem CID 118195581) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
PubChem CID118195581
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC3(COC3)C2)cc(C(C)C)c1O
InChIInChI=1S/C18H25NO3/c1-11(2)14-5-13(6-15(12(3)4)16(14)20)17(21)19-7-18(8-19)9-22-10-18/h5-6,11-12,20H,7-10H2,1-4H3
InChIKeyNDXFXDNFSJKACZ-UHFFFAOYSA-N
XLogP3.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (CID 118195581) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is CC(C)c1cc(C(=O)N2CC3(COC3)C2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The InChIKey is NDXFXDNFSJKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)14-5-13(6-15(12(3)4)16(14)20)17(21)19-7-18(8-19)9-22-10-18/h5-6,11-12,20H,7-10H2,1-4H3.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 303.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 118195581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).