2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol

C14H16N4O8 — CID 159513130

IUPAC2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
SMILESCOc1cc(N)c(O)c(N)c1.COc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O6.C7H10N2O2/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14;1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3;2-3,10H,8-9H2,1H3
InChIKeyMAVWBKCEGGXGTL-UHFFFAOYSA-N
MW368.30 g/mol
LogP1.78
Rot. Bonds4

About 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol

2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol (PubChem CID 159513130) has the molecular formula C14H16N4O8 and a molecular weight of 368.30 g/mol. Its IUPAC name is 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol.

Molecular Properties

Compound Name2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
PubChem CID159513130
Molecular FormulaC14H16N4O8
Molecular Weight368.30 g/mol
Exact Mass368.10
IUPAC Name2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
SMILESCOc1cc(N)c(O)c(N)c1.COc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O6.C7H10N2O2/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14;1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3;2-3,10H,8-9H2,1H3
InChIKeyMAVWBKCEGGXGTL-UHFFFAOYSA-N
XLogP1.78
TPSA197.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate
CID 171030688
CID 45157719
CID 45157719
2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780
4-(4-hydroxy-3-methyl-5-nitrophenoxy)-2-methyl-6-nitrophenol
CID 57107290
5-methoxy-2-nitropyridin-3-amine
CID 91619049
[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]thiourea
CID 5219276
2-amino-4-(2-hydroxy-5-methoxy-3-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405883
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295
methyl (4S)-4-(2-hydroxy-5-methoxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 885775
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol?
The IUPAC name of 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol (CID 159513130) is 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol.
What is the SMILES notation for 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol?
The canonical SMILES for 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol is COc1cc(N)c(O)c(N)c1.COc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol?
The InChIKey is MAVWBKCEGGXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O6.C7H10N2O2/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14;1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3;2-3,10H,8-9H2,1H3.
What are the key properties of 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol?
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol has a molecular weight of 368.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol is sourced from PubChem (CID 159513130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).