5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol

C9H9NO5 — CID 124583761

IUPAC5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol
SMILESO=[N+]([O-])c1ccc(OC[C@H]2CO2)c(O)c1
InChIInChI=1S/C9H9NO5/c11-8-3-6(10(12)13)1-2-9(8)15-5-7-4-14-7/h1-3,7,11H,4-5H2/t7-/m1/s1
InChIKeyCTRHKWRKWVRFBW-SSDOTTSWSA-N
MW211.17 g/mol
LogP1.08
Rot. Bonds4

About 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol

5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol (PubChem CID 124583761) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol.

Molecular Properties

Compound Name5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol
PubChem CID124583761
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol
SMILESO=[N+]([O-])c1ccc(OC[C@H]2CO2)c(O)c1
InChIInChI=1S/C9H9NO5/c11-8-3-6(10(12)13)1-2-9(8)15-5-7-4-14-7/h1-3,7,11H,4-5H2/t7-/m1/s1
InChIKeyCTRHKWRKWVRFBW-SSDOTTSWSA-N
XLogP1.08
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
CID 16784964
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
2-[[2-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-nitrophenoxy]methyl]oxirane
CID 145484381
2-butoxy-5-nitrophenol
CID 141158099
2-[(4-bromo-2-nitrophenoxy)methyl]oxirane
CID 65430510
5-nitro-2-tetradecoxyphenol
CID 19747178
2-[(2,4-dinitrophenoxy)methyl]oxane
CID 15869090
2-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]oxirane
CID 82007824
5-nitro-2-(oxan-2-ylmethoxy)benzenesulfonamide
CID 43592059
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
2-[(3-nitrophenyl)sulfanyloxymethyl]oxirane
CID 142108998
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol?
The IUPAC name of 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol (CID 124583761) is 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol.
What is the SMILES notation for 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol?
The canonical SMILES for 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol is O=[N+]([O-])c1ccc(OC[C@H]2CO2)c(O)c1.
What is the InChIKey of 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol?
The InChIKey is CTRHKWRKWVRFBW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9NO5/c11-8-3-6(10(12)13)1-2-9(8)15-5-7-4-14-7/h1-3,7,11H,4-5H2/t7-/m1/s1.
What are the key properties of 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol?
5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol has a molecular weight of 211.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[[(2R)-oxiran-2-yl]methoxy]phenol is sourced from PubChem (CID 124583761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).