4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol

C10H11NO6 — CID 134226494

IUPAC4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol
SMILESCOc1cc(O)c([N+](=O)[O-])cc1C1OCCO1
InChIInChI=1S/C10H11NO6/c1-15-9-5-8(12)7(11(13)14)4-6(9)10-16-2-3-17-10/h4-5,10,12H,2-3H2,1H3
InChIKeyJZNZHROPKWMILD-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.35
Rot. Bonds3

About 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol

4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol (PubChem CID 134226494) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol
PubChem CID134226494
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol
SMILESCOc1cc(O)c([N+](=O)[O-])cc1C1OCCO1
InChIInChI=1S/C10H11NO6/c1-15-9-5-8(12)7(11(13)14)4-6(9)10-16-2-3-17-10/h4-5,10,12H,2-3H2,1H3
InChIKeyJZNZHROPKWMILD-UHFFFAOYSA-N
XLogP1.35
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.35
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'}

Analyze 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
[5-(1,3-dioxolan-2-yl)-2-methoxy-3-nitrophenyl] acetate
CID 12928000
5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
CID 102273145
2-[4-(2-bromo-5-methoxyphenoxy)-2-nitrophenyl]-1,3-dioxolane
CID 177352354
[2-(1,3-dioxolan-2-yl)-4-nitrophenyl] methanesulfonate
CID 23272938
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
methyl 2-hydroxy-4-methoxy-5-nitrobenzoate
CID 71669123
(4S)-4-(4,5-dimethoxy-2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185934
methyl 8-methoxy-6-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 122417734
4-(4,5-dimethoxy-2-nitrophenyl)azetidin-2-one
CID 170876459
2-methoxy-6-nitro-4-(piperidin-4-ylmethyl)phenol
CID 116987626

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol (CID 134226494) is 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol is COc1cc(O)c([N+](=O)[O-])cc1C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol?
The InChIKey is JZNZHROPKWMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-15-9-5-8(12)7(11(13)14)4-6(9)10-16-2-3-17-10/h4-5,10,12H,2-3H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol?
4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol has a molecular weight of 241.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol is sourced from PubChem (CID 134226494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).