(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone

C13H17NO3 — CID 131909764

IUPAC(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cccc(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO3/c1-10-4-3-5-11(16-2)12(10)13(15)14-6-8-17-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeyKXZIYXKPJGHTAZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.48
Rot. Bonds2

About (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone

(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 131909764) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
PubChem CID131909764
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cccc(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO3/c1-10-4-3-5-11(16-2)12(10)13(15)14-6-8-17-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeyKXZIYXKPJGHTAZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 119060897
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone (CID 131909764) is (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone is COc1cccc(C)c1C(=O)N1CCOCC1.
What is the InChIKey of (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is KXZIYXKPJGHTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-4-3-5-11(16-2)12(10)13(15)14-6-8-17-9-7-14/h3-5H,6-9H2,1-2H3.
What are the key properties of (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone?
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 235.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 131909764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).