1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one

C17H25NO4 — CID 2995994

IUPAC1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCOCCN1CCOCC1
InChIInChI=1S/C17H25NO4/c1-2-16(19)15-5-3-4-6-17(15)22-14-13-21-12-9-18-7-10-20-11-8-18/h3-6H,2,7-14H2,1H3
InChIKeyLQYDBLPSODPTPD-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.01
Rot. Bonds9

About 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one

1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one (PubChem CID 2995994) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
PubChem CID2995994
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCOCCN1CCOCC1
InChIInChI=1S/C17H25NO4/c1-2-16(19)15-5-3-4-6-17(15)22-14-13-21-12-9-18-7-10-20-11-8-18/h3-6H,2,7-14H2,1H3
InChIKeyLQYDBLPSODPTPD-UHFFFAOYSA-N
XLogP2.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 51980530
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one (CID 2995994) is 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCCOCCN1CCOCC1.
What is the InChIKey of 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one?
The InChIKey is LQYDBLPSODPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-2-16(19)15-5-3-4-6-17(15)22-14-13-21-12-9-18-7-10-20-11-8-18/h3-6H,2,7-14H2,1H3.
What are the key properties of 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one?
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 2995994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).