2-methoxy-4-morpholin-3-yl-6-nitrophenol

C11H14N2O5 — CID 116987656

IUPAC2-methoxy-4-morpholin-3-yl-6-nitrophenol
SMILESCOc1cc(C2COCCN2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H14N2O5/c1-17-10-5-7(8-6-18-3-2-12-8)4-9(11(10)14)13(15)16/h4-5,8,12,14H,2-3,6H2,1H3
InChIKeyHLVMTTVQRSZBKN-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.97
Rot. Bonds3

About 2-methoxy-4-morpholin-3-yl-6-nitrophenol

2-methoxy-4-morpholin-3-yl-6-nitrophenol (PubChem CID 116987656) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methoxy-4-morpholin-3-yl-6-nitrophenol.

Molecular Properties

Compound Name2-methoxy-4-morpholin-3-yl-6-nitrophenol
PubChem CID116987656
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-methoxy-4-morpholin-3-yl-6-nitrophenol
SMILESCOc1cc(C2COCCN2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H14N2O5/c1-17-10-5-7(8-6-18-3-2-12-8)4-9(11(10)14)13(15)16/h4-5,8,12,14H,2-3,6H2,1H3
InChIKeyHLVMTTVQRSZBKN-UHFFFAOYSA-N
XLogP0.97
TPSA93.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
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

2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917100
4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
CID 103548627
3-nitro-5-[(2R)-piperazin-2-yl]benzene-1,2-diol
CID 171194223

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-morpholin-3-yl-6-nitrophenol?
The IUPAC name of 2-methoxy-4-morpholin-3-yl-6-nitrophenol (CID 116987656) is 2-methoxy-4-morpholin-3-yl-6-nitrophenol.
What is the SMILES notation for 2-methoxy-4-morpholin-3-yl-6-nitrophenol?
The canonical SMILES for 2-methoxy-4-morpholin-3-yl-6-nitrophenol is COc1cc(C2COCCN2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-4-morpholin-3-yl-6-nitrophenol?
The InChIKey is HLVMTTVQRSZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-10-5-7(8-6-18-3-2-12-8)4-9(11(10)14)13(15)16/h4-5,8,12,14H,2-3,6H2,1H3.
What are the key properties of 2-methoxy-4-morpholin-3-yl-6-nitrophenol?
2-methoxy-4-morpholin-3-yl-6-nitrophenol has a molecular weight of 254.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-morpholin-3-yl-6-nitrophenol is sourced from PubChem (CID 116987656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).