[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol

C12H18N2O5 — CID 43311741

IUPAC[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCCN(C)C
InChIInChI=1S/C12H18N2O5/c1-13(2)4-5-19-12-7-10(14(16)17)9(8-15)6-11(12)18-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyRXYKNQMDMXLHDI-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.04
Rot. Bonds7

About [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol

[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol (PubChem CID 43311741) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
PubChem CID43311741
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCCN(C)C
InChIInChI=1S/C12H18N2O5/c1-13(2)4-5-19-12-7-10(14(16)17)9(8-15)6-11(12)18-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyRXYKNQMDMXLHDI-UHFFFAOYSA-N
XLogP1.04
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.04
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

[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463
4-[3-(dimethylamino)propoxy]-5-methoxy-2-nitrobenzoic acid
CID 114525458
5-[3-(dimethylamino)propoxy]-4-methoxy-2-nitrobenzoic acid
CID 146673793
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43311703
N-[(4-methoxy-2-nitro-5-propoxyphenyl)methyl]ethanamine
CID 112720449
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
CID 43311683
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
CID 43311708

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol (CID 43311741) is [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol is COc1cc(CO)c([N+](=O)[O-])cc1OCCN(C)C.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol?
The InChIKey is RXYKNQMDMXLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-13(2)4-5-19-12-7-10(14(16)17)9(8-15)6-11(12)18-3/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol?
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol has a molecular weight of 270.28 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol is sourced from PubChem (CID 43311741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).