1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone

C15H21NO3 — CID 82053018

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
SMILESCOc1cc(C)c(C(=O)CN2CCOCC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-8-13(18-3)9-12(2)15(11)14(17)10-16-4-6-19-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyAMEXEULCVLMEEB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone

1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone (PubChem CID 82053018) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
PubChem CID82053018
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
SMILESCOc1cc(C)c(C(=O)CN2CCOCC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-8-13(18-3)9-12(2)15(11)14(17)10-16-4-6-19-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyAMEXEULCVLMEEB-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43797424
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone (CID 82053018) is 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone is COc1cc(C)c(C(=O)CN2CCOCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone?
The InChIKey is AMEXEULCVLMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-8-13(18-3)9-12(2)15(11)14(17)10-16-4-6-19-7-5-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone?
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 82053018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).