1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol

C19H22N2O5 — CID 21396178

IUPAC1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccc(OCC(O)CN2CCOCC2)c(-c2ccccc2)c1
InChIInChI=1S/C19H22N2O5/c22-17(13-20-8-10-25-11-9-20)14-26-19-7-6-16(21(23)24)12-18(19)15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,13-14H2
InChIKeyDNTZYEHLSQHLFE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.33
Rot. Bonds7

About 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol

1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol (PubChem CID 21396178) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol
PubChem CID21396178
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccc(OCC(O)CN2CCOCC2)c(-c2ccccc2)c1
InChIInChI=1S/C19H22N2O5/c22-17(13-20-8-10-25-11-9-20)14-26-19-7-6-16(21(23)24)12-18(19)15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,13-14H2
InChIKeyDNTZYEHLSQHLFE-UHFFFAOYSA-N
XLogP2.33
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.33
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

(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-(2-methyl-5-nitrophenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448890
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
CID 116541854
1-(2-methyl-5-nitrophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109415985
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
(2S)-1-(azocan-1-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 9103497
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1122027
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2S)-1-[2-hydroxyethyl(2-morpholin-4-ylethyl)amino]-3-(3-nitrophenoxy)propan-2-ol
CID 95789244
1-(4-nitrophenoxy)-3-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-ol
CID 3856079

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol (CID 21396178) is 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol is O=[N+]([O-])c1ccc(OCC(O)CN2CCOCC2)c(-c2ccccc2)c1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol?
The InChIKey is DNTZYEHLSQHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-17(13-20-8-10-25-11-9-20)14-26-19-7-6-16(21(23)24)12-18(19)15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,13-14H2.
What are the key properties of 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol?
1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol has a molecular weight of 358.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-nitro-2-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 21396178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).