3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol

C10H11NO5 — CID 24758510

IUPAC3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol
SMILESCC1(COc2cc(O)ccc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H11NO5/c1-10(6-16-10)5-15-9-4-7(12)2-3-8(9)11(13)14/h2-4,12H,5-6H2,1H3
InChIKeyXBXBQDKRDUYBPH-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.47
Rot. Bonds4

About 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol

3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol (PubChem CID 24758510) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol.

Molecular Properties

Compound Name3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol
PubChem CID24758510
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol
SMILESCC1(COc2cc(O)ccc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H11NO5/c1-10(6-16-10)5-15-9-4-7(12)2-3-8(9)11(13)14/h2-4,12H,5-6H2,1H3
InChIKeyXBXBQDKRDUYBPH-UHFFFAOYSA-N
XLogP1.47
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.47
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'}

Analyze 3-[(2-methyloxiran-2-yl)methoxy]-4-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

2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
CID 107499464
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
CID 66335072
2-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-methyloxirane
CID 66335978
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
(2,5-dinitrophenoxy)methanol
CID 59479964
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
1-[[5-(methylaminomethyl)-2-nitrophenoxy]methyl]cyclohexan-1-ol
CID 65208374
2-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methyl-1-nitrobenzene
CID 65001287
3-nitro-4-[3-(4-nitrophenoxy)propoxy]phenol
CID 14595396
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol?
The IUPAC name of 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol (CID 24758510) is 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol.
What is the SMILES notation for 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol?
The canonical SMILES for 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol is CC1(COc2cc(O)ccc2[N+](=O)[O-])CO1.
What is the InChIKey of 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol?
The InChIKey is XBXBQDKRDUYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-10(6-16-10)5-15-9-4-7(12)2-3-8(9)11(13)14/h2-4,12H,5-6H2,1H3.
What are the key properties of 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol?
3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol has a molecular weight of 225.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol is sourced from PubChem (CID 24758510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).