[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone

C16H21NO3 — CID 110364459

IUPAC[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCc1ccccc1C1CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C16H21NO3/c1-12-5-2-3-6-13(12)15-11-17(8-10-20-15)16(18)14-7-4-9-19-14/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyXWMWZADYLJYZHT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds2

About [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone

[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone (PubChem CID 110364459) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
PubChem CID110364459
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCc1ccccc1C1CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C16H21NO3/c1-12-5-2-3-6-13(12)15-11-17(8-10-20-15)16(18)14-7-4-9-19-14/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyXWMWZADYLJYZHT-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[(5S)-4,5,6,7-tetrahydro-2H-benzotriazol-5-yl]methanone
CID 124727027
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone (CID 110364459) is [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone is Cc1ccccc1C1CN(C(=O)C2CCCO2)CCO1.
What is the InChIKey of [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The InChIKey is XWMWZADYLJYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-5-2-3-6-13(12)15-11-17(8-10-20-15)16(18)14-7-4-9-19-14/h2-3,5-6,14-15H,4,7-11H2,1H3.
What are the key properties of [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).