4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one

C14H19NO4 — CID 165481667

IUPAC4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
SMILESCOc1ccc(N2CCOCC2=O)cc1OC(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)19-13-8-11(4-5-12(13)17-3)15-6-7-18-9-14(15)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAVHUNOMOXUPFOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.85
Rot. Bonds4

About 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one

4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one (PubChem CID 165481667) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
PubChem CID165481667
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
SMILESCOc1ccc(N2CCOCC2=O)cc1OC(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)19-13-8-11(4-5-12(13)17-3)15-6-7-18-9-14(15)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAVHUNOMOXUPFOZ-UHFFFAOYSA-N
XLogP1.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one?
The IUPAC name of 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one (CID 165481667) is 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one?
The canonical SMILES for 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one is COc1ccc(N2CCOCC2=O)cc1OC(C)C.
What is the InChIKey of 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one?
The InChIKey is AVHUNOMOXUPFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)19-13-8-11(4-5-12(13)17-3)15-6-7-18-9-14(15)16/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one?
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one has a molecular weight of 265.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one is sourced from PubChem (CID 165481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).