(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone

C14H19NO3 — CID 46914873

IUPAC(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H19NO3/c1-10(2)12-9-11(3-4-13(12)16)14(17)15-5-7-18-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyNIZNMEKOVXZNTO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds2

About (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone

(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone (PubChem CID 46914873) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone
PubChem CID46914873
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H19NO3/c1-10(2)12-9-11(3-4-13(12)16)14(17)15-5-7-18-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyNIZNMEKOVXZNTO-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone (CID 46914873) is (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone is CC(C)c1cc(C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The InChIKey is NIZNMEKOVXZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)12-9-11(3-4-13(12)16)14(17)15-5-7-18-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone?
(4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-propan-2-ylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 46914873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).