2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol

C14H12N2O7 — CID 56975056

IUPAC2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(COCc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C14H12N2O7/c17-13-3-1-11(15(19)20)5-9(13)7-23-8-10-6-12(16(21)22)2-4-14(10)18/h1-6,17-18H,7-8H2
InChIKeyOHOVLWDZOIVEQP-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.63
Rot. Bonds6

About 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol

2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol (PubChem CID 56975056) has the molecular formula C14H12N2O7 and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
PubChem CID56975056
Molecular FormulaC14H12N2O7
Molecular Weight320.26 g/mol
Exact Mass320.06
IUPAC Name2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(COCc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C14H12N2O7/c17-13-3-1-11(15(19)20)5-9(13)7-23-8-10-6-12(16(21)22)2-4-14(10)18/h1-6,17-18H,7-8H2
InChIKeyOHOVLWDZOIVEQP-UHFFFAOYSA-N
XLogP2.63
TPSA135.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.63
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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Related Compounds

2-(butoxymethyl)-4-nitrophenol
CID 177163753
2-(butoxymethyl)-4-nitrophenol;methanethiol
CID 177163763
(2-hydroxy-5-nitrophenyl)methyl acetate
CID 68967158
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol
CID 3812937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol?
The IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol (CID 56975056) is 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(COCc2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol?
The InChIKey is OHOVLWDZOIVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O7/c17-13-3-1-11(15(19)20)5-9(13)7-23-8-10-6-12(16(21)22)2-4-14(10)18/h1-6,17-18H,7-8H2.
What are the key properties of 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol?
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol has a molecular weight of 320.26 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol is sourced from PubChem (CID 56975056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).