2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol

C8H7N5O4 — CID 3485343

IUPAC2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol
SMILESCOc1cc([N+](=O)[O-])cc(-c2nn[nH]n2)c1O
InChIInChI=1S/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5(7(6)14)8-9-11-12-10-8/h2-3,14H,1H3,(H,9,10,11,12)
InChIKeyQGSDWYYWVGDZDH-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.49
Rot. Bonds3

About 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol

2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol (PubChem CID 3485343) has the molecular formula C8H7N5O4 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol
PubChem CID3485343
Molecular FormulaC8H7N5O4
Molecular Weight237.18 g/mol
Exact Mass237.05
IUPAC Name2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol
SMILESCOc1cc([N+](=O)[O-])cc(-c2nn[nH]n2)c1O
InChIInChI=1S/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5(7(6)14)8-9-11-12-10-8/h2-3,14H,1H3,(H,9,10,11,12)
InChIKeyQGSDWYYWVGDZDH-UHFFFAOYSA-N
XLogP0.49
TPSA127.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol (CID 3485343) is 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol is COc1cc([N+](=O)[O-])cc(-c2nn[nH]n2)c1O.
What is the InChIKey of 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol?
The InChIKey is QGSDWYYWVGDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5(7(6)14)8-9-11-12-10-8/h2-3,14H,1H3,(H,9,10,11,12).
What are the key properties of 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol?
2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol has a molecular weight of 237.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 3485343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).