[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol

C13H18N2O5 — CID 133437883

IUPAC[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCOCC1CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H18N2O5/c1-19-9-11-7-14(4-5-20-11)13-6-10(8-16)2-3-12(13)15(17)18/h2-3,6,11,16H,4-5,7-9H2,1H3
InChIKeyXIHCDRSEWJYRHF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.94
Rot. Bonds5

About [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol

[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol (PubChem CID 133437883) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
PubChem CID133437883
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCOCC1CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H18N2O5/c1-19-9-11-7-14(4-5-20-11)13-6-10(8-16)2-3-12(13)15(17)18/h2-3,6,11,16H,4-5,7-9H2,1H3
InChIKeyXIHCDRSEWJYRHF-UHFFFAOYSA-N
XLogP0.94
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.94
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

4-[5-(hydroxymethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 133437639
[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438449
[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438604
methyl (3S)-1-[5-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxylate
CID 133438070
[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
2-[4-(5-cyano-2-nitrophenyl)morpholin-2-yl]acetic acid
CID 104712992
[3-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133438012
4-(3-chloro-5-nitro-4-pyridinyl)-2-(methoxymethyl)morpholine
CID 122140967
[4-(2-methyl-1,4-oxazepan-4-yl)-3-nitrophenyl]methanol
CID 62974876
[3-[3-(azepan-1-yl)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133437679

Frequently Asked Questions

What is the IUPAC name of [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The IUPAC name of [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol (CID 133437883) is [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol is COCC1CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1.
What is the InChIKey of [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The InChIKey is XIHCDRSEWJYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-9-11-7-14(4-5-20-11)13-6-10(8-16)2-3-12(13)15(17)18/h2-3,6,11,16H,4-5,7-9H2,1H3.
What are the key properties of [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol?
[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol has a molecular weight of 282.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol is sourced from PubChem (CID 133437883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).