(2-nitrophenyl)-(oxiran-2-yl)methanol

C9H9NO4 — CID 91127425

IUPAC(2-nitrophenyl)-(oxiran-2-yl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)C1CO1
InChIInChI=1S/C9H9NO4/c11-9(8-5-14-8)6-3-1-2-4-7(6)10(12)13/h1-4,8-9,11H,5H2
InChIKeyZVMBYEVKUASOIE-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.03
Rot. Bonds3

About (2-nitrophenyl)-(oxiran-2-yl)methanol

(2-nitrophenyl)-(oxiran-2-yl)methanol (PubChem CID 91127425) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2-nitrophenyl)-(oxiran-2-yl)methanol.

Molecular Properties

Compound Name(2-nitrophenyl)-(oxiran-2-yl)methanol
PubChem CID91127425
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2-nitrophenyl)-(oxiran-2-yl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)C1CO1
InChIInChI=1S/C9H9NO4/c11-9(8-5-14-8)6-3-1-2-4-7(6)10(12)13/h1-4,8-9,11H,5H2
InChIKeyZVMBYEVKUASOIE-UHFFFAOYSA-N
XLogP1.03
TPSA75.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
2-[(S)-hydroxy-(2-nitrophenyl)methyl]-4-methylcyclohexan-1-one
CID 177401375
hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium
CID 70218936
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
(3S,4R)-1-(1,3-dioxan-2-yl)-3,4-dihydroxy-4-(2-nitrophenyl)butan-2-one
CID 44606625
2-(2-nitrophenyl)propanedioic acid
CID 18413218
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
diphenylphosphanyl-(2-nitrophenyl)methanol
CID 91174471

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-(oxiran-2-yl)methanol?
The IUPAC name of (2-nitrophenyl)-(oxiran-2-yl)methanol (CID 91127425) is (2-nitrophenyl)-(oxiran-2-yl)methanol.
What is the SMILES notation for (2-nitrophenyl)-(oxiran-2-yl)methanol?
The canonical SMILES for (2-nitrophenyl)-(oxiran-2-yl)methanol is O=[N+]([O-])c1ccccc1C(O)C1CO1.
What is the InChIKey of (2-nitrophenyl)-(oxiran-2-yl)methanol?
The InChIKey is ZVMBYEVKUASOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-9(8-5-14-8)6-3-1-2-4-7(6)10(12)13/h1-4,8-9,11H,5H2.
What are the key properties of (2-nitrophenyl)-(oxiran-2-yl)methanol?
(2-nitrophenyl)-(oxiran-2-yl)methanol has a molecular weight of 195.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-(oxiran-2-yl)methanol is sourced from PubChem (CID 91127425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).