1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol

C16H25NO3 — CID 4080436

IUPAC1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyOFEYQVJHAZFCJS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.88
Rot. Bonds6

About 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol

1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 4080436) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID4080436
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyOFEYQVJHAZFCJS-UHFFFAOYSA-N
XLogP1.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 4080436) is 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is OFEYQVJHAZFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 4080436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).