4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one

C15H20ClNO3 — CID 2165175

IUPAC4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one
SMILESCc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO3/c1-12-11-13(16)4-5-14(12)20-8-2-3-15(18)17-6-9-19-10-7-17/h4-5,11H,2-3,6-10H2,1H3
InChIKeySACVJJTXPBVABM-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.67
Rot. Bonds5

About 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one

4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one (PubChem CID 2165175) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one
PubChem CID2165175
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one
SMILESCc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO3/c1-12-11-13(16)4-5-14(12)20-8-2-3-15(18)17-6-9-19-10-7-17/h4-5,11H,2-3,6-10H2,1H3
InChIKeySACVJJTXPBVABM-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-1-morpholino-2-propen-1-one
CID 1491240
2-(4-chloro-2-methylphenoxy)-N-cyclopentylacetamide
CID 871922
6-Chloro-3-(morpholine-4-carbonyl)chromen-2-one
CID 976955
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
[1-(Dimethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 658406
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
4-[4-(4-Methylphenoxy)butanoyl]morpholine
CID 1565370
4-(4-Chloro-2-methylphenoxy)butanamide
CID 2287730
Ethyl 1-[(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 740901
2-(4-Chloro-2-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 774159
Methyl 1-[(4-chlorophenoxy)acetyl]piperidine-4-carboxylate
CID 798758
4-(4-Chlorophenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 1565337

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one (CID 2165175) is 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one is Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one?
The InChIKey is SACVJJTXPBVABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-12-11-13(16)4-5-14(12)20-8-2-3-15(18)17-6-9-19-10-7-17/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one?
4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one has a molecular weight of 297.78 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 2165175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).