1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone

C15H21NO3 — CID 116919891

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
SMILESCOc1cc(C)c(C)cc1C(=O)CC1COCCN1
InChIInChI=1S/C15H21NO3/c1-10-6-13(15(18-3)7-11(10)2)14(17)8-12-9-19-5-4-16-12/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyRIFANHDMZMUOHG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone

1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone (PubChem CID 116919891) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
PubChem CID116919891
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
SMILESCOc1cc(C)c(C)cc1C(=O)CC1COCCN1
InChIInChI=1S/C15H21NO3/c1-10-6-13(15(18-3)7-11(10)2)14(17)8-12-9-19-5-4-16-12/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyRIFANHDMZMUOHG-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone (CID 116919891) is 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone is COc1cc(C)c(C)cc1C(=O)CC1COCCN1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone?
The InChIKey is RIFANHDMZMUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-13(15(18-3)7-11(10)2)14(17)8-12-9-19-5-4-16-12/h6-7,12,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone?
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116919891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).