(3-ethoxyphenyl)-morpholin-3-ylmethanone

C13H17NO3 — CID 116576412

IUPAC(3-ethoxyphenyl)-morpholin-3-ylmethanone
SMILESCCOc1cccc(C(=O)C2COCCN2)c1
InChIInChI=1S/C13H17NO3/c1-2-17-11-5-3-4-10(8-11)13(15)12-9-16-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3
InChIKeyHXFXCZKVWQMKSF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.26
Rot. Bonds4

About (3-ethoxyphenyl)-morpholin-3-ylmethanone

(3-ethoxyphenyl)-morpholin-3-ylmethanone (PubChem CID 116576412) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-ethoxyphenyl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-morpholin-3-ylmethanone
PubChem CID116576412
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-ethoxyphenyl)-morpholin-3-ylmethanone
SMILESCCOc1cccc(C(=O)C2COCCN2)c1
InChIInChI=1S/C13H17NO3/c1-2-17-11-5-3-4-10(8-11)13(15)12-9-16-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3
InChIKeyHXFXCZKVWQMKSF-UHFFFAOYSA-N
XLogP1.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(3-ethoxyphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947025
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
CID 116919637
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
(3-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947013
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
[2-(2-methoxyethoxy)phenyl]-morpholin-3-ylmethanone
CID 116576351
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-morpholin-3-ylmethanone?
The IUPAC name of (3-ethoxyphenyl)-morpholin-3-ylmethanone (CID 116576412) is (3-ethoxyphenyl)-morpholin-3-ylmethanone.
What is the SMILES notation for (3-ethoxyphenyl)-morpholin-3-ylmethanone?
The canonical SMILES for (3-ethoxyphenyl)-morpholin-3-ylmethanone is CCOc1cccc(C(=O)C2COCCN2)c1.
What is the InChIKey of (3-ethoxyphenyl)-morpholin-3-ylmethanone?
The InChIKey is HXFXCZKVWQMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-11-5-3-4-10(8-11)13(15)12-9-16-7-6-14-12/h3-5,8,12,14H,2,6-7,9H2,1H3.
What are the key properties of (3-ethoxyphenyl)-morpholin-3-ylmethanone?
(3-ethoxyphenyl)-morpholin-3-ylmethanone has a molecular weight of 235.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-morpholin-3-ylmethanone is sourced from PubChem (CID 116576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).