3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol

C15H14N2O4 — CID 123945140

IUPAC3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol
SMILESC=C(NOCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1
InChIInChI=1S/C15H14N2O4/c1-11(13-3-2-4-15(18)9-13)16-21-10-12-5-7-14(8-6-12)17(19)20/h2-9,16,18H,1,10H2
InChIKeyYMWJKRROAIRLOU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.99
Rot. Bonds6

About 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol

3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol (PubChem CID 123945140) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol.

Molecular Properties

Compound Name3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol
PubChem CID123945140
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol
SMILESC=C(NOCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1
InChIInChI=1S/C15H14N2O4/c1-11(13-3-2-4-15(18)9-13)16-21-10-12-5-7-14(8-6-12)17(19)20/h2-9,16,18H,1,10H2
InChIKeyYMWJKRROAIRLOU-UHFFFAOYSA-N
XLogP2.99
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
N-[(2-nitrophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 57304954
3-(4-nitrophenyl)phenol
CID 15743438
(4-nitrophenyl)methyl 3-(dimethylamino)benzoate
CID 2365158
(4-nitrophenyl)methyl naphthalene-2-carboxylate
CID 2507538
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-[1-(3-iodophenyl)ethenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetohydrazide
CID 4226401
4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate
CID 141294048
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
[4-(4-nitrophenoxy)phenyl]methyl 3-chlorobenzoate
CID 126185931

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol?
The IUPAC name of 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol (CID 123945140) is 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol.
What is the SMILES notation for 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol?
The canonical SMILES for 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol is C=C(NOCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol?
The InChIKey is YMWJKRROAIRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11(13-3-2-4-15(18)9-13)16-21-10-12-5-7-14(8-6-12)17(19)20/h2-9,16,18H,1,10H2.
What are the key properties of 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol?
3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol has a molecular weight of 286.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-nitrophenyl)methoxyamino]ethenyl]phenol is sourced from PubChem (CID 123945140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).