[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone

C19H27NO4 — CID 137338787

IUPAC[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
SMILESO=C(c1ccccc1OCCCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H27NO4/c21-19(16-6-12-22-13-7-16)17-4-1-2-5-18(17)24-11-3-8-20-9-14-23-15-10-20/h1-2,4-5,16H,3,6-15H2
InChIKeyIOOLZJKZHYJRKR-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.40
Rot. Bonds7

About [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone

[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone (PubChem CID 137338787) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
PubChem CID137338787
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
SMILESO=C(c1ccccc1OCCCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H27NO4/c21-19(16-6-12-22-13-7-16)17-4-1-2-5-18(17)24-11-3-8-20-9-14-23-15-10-20/h1-2,4-5,16H,3,6-15H2
InChIKeyIOOLZJKZHYJRKR-UHFFFAOYSA-N
XLogP2.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.40
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-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-(oxan-4-yl)methanone
CID 138387472
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
CID 2995994
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
(E)-3-(2-methoxyphenyl)-1-[2-(3-morpholin-4-ylpropoxy)phenyl]prop-2-en-1-one;hydrochloride
CID 155548738
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone (CID 137338787) is [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone is O=C(c1ccccc1OCCCN1CCOCC1)C1CCOCC1.
What is the InChIKey of [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone?
The InChIKey is IOOLZJKZHYJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c21-19(16-6-12-22-13-7-16)17-4-1-2-5-18(17)24-11-3-8-20-9-14-23-15-10-20/h1-2,4-5,16H,3,6-15H2.
What are the key properties of [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone?
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone has a molecular weight of 333.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 137338787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).