1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol

C14H20N2O5 — CID 116541854

IUPAC1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
SMILESCC(O)c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1
InChIInChI=1S/C14H20N2O5/c1-11(17)13-10-12(16(18)19)2-3-14(13)21-9-6-15-4-7-20-8-5-15/h2-3,10-11,17H,4-9H2,1H3
InChIKeyIWWAQDAFWRIQLD-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol

1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol (PubChem CID 116541854) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
PubChem CID116541854
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
SMILESCC(O)c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1
InChIInChI=1S/C14H20N2O5/c1-11(17)13-10-12(16(18)19)2-3-14(13)21-9-6-15-4-7-20-8-5-15/h2-3,10-11,17H,4-9H2,1H3
InChIKeyIWWAQDAFWRIQLD-UHFFFAOYSA-N
XLogP1.36
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
(1R)-1-[2-[2-(2-methylimidazol-1-yl)ethoxy]-5-nitrophenyl]ethanol
CID 104890022
(1S)-1-[2-(3-methylbut-3-enoxy)-5-nitrophenyl]ethanol
CID 104929606
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
(1S)-1-(5-nitro-2-pent-4-ynoxyphenyl)ethanol
CID 104890437
[2-(2-morpholin-4-ylethoxy)-4-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 86098568
(1S)-1-[5-nitro-2-(oxan-4-yloxy)phenyl]ethanol
CID 104890357
(1R)-1-[5-nitro-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726363
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol?
The IUPAC name of 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol (CID 116541854) is 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol?
The canonical SMILES for 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol is CC(O)c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol?
The InChIKey is IWWAQDAFWRIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-11(17)13-10-12(16(18)19)2-3-14(13)21-9-6-15-4-7-20-8-5-15/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol?
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol has a molecular weight of 296.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol is sourced from PubChem (CID 116541854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).