1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one

C21H25NO2 — CID 174790894

IUPAC1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one
SMILESCCC(=O)Cc1ccc(Cc2ccccc2C2CNCCO2)cc1
InChIInChI=1S/C21H25NO2/c1-2-19(23)14-17-9-7-16(8-10-17)13-18-5-3-4-6-20(18)21-15-22-11-12-24-21/h3-10,21-22H,2,11-15H2,1H3
InChIKeyWEDHHMQXMLLBCM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one

1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one (PubChem CID 174790894) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one.

Molecular Properties

Compound Name1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one
PubChem CID174790894
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one
SMILESCCC(=O)Cc1ccc(Cc2ccccc2C2CNCCO2)cc1
InChIInChI=1S/C21H25NO2/c1-2-19(23)14-17-9-7-16(8-10-17)13-18-5-3-4-6-20(18)21-15-22-11-12-24-21/h3-10,21-22H,2,11-15H2,1H3
InChIKeyWEDHHMQXMLLBCM-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58315659
1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
CID 174632021
N-(2-benzylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 21430373
3-morpholin-2-yl-2-nitrosophenol
CID 174751640
2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-(2-ethyl-1H-pyrrol-3-yl)morpholine
CID 174889160
(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
CID 174981779
1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 149119279

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one?
The IUPAC name of 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one (CID 174790894) is 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one.
What is the SMILES notation for 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one?
The canonical SMILES for 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one is CCC(=O)Cc1ccc(Cc2ccccc2C2CNCCO2)cc1.
What is the InChIKey of 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one?
The InChIKey is WEDHHMQXMLLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-19(23)14-17-9-7-16(8-10-17)13-18-5-3-4-6-20(18)21-15-22-11-12-24-21/h3-10,21-22H,2,11-15H2,1H3.
What are the key properties of 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one?
1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one is sourced from PubChem (CID 174790894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).