(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone

C15H21NO3 — CID 46861554

IUPAC(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
InChIKeyKPZLYGXXDVGCGM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds1

About (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone

(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone (PubChem CID 46861554) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone
PubChem CID46861554
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
InChIKeyKPZLYGXXDVGCGM-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone (CID 46861554) is (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone is CC(C)(C)c1cc(C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is KPZLYGXXDVGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone?
(3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 46861554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).