[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol

C13H13N3O4 — CID 80920971

IUPAC[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
SMILESNNc1cc(Oc2ccc(CO)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O4/c14-15-10-5-11(16(18)19)7-13(6-10)20-12-3-1-9(8-17)2-4-12/h1-7,15,17H,8,14H2
InChIKeyJNADOFIGQWQOBL-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.16
Rot. Bonds5

About [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol

[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol (PubChem CID 80920971) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
PubChem CID80920971
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
SMILESNNc1cc(Oc2ccc(CO)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O4/c14-15-10-5-11(16(18)19)7-13(6-10)20-12-3-1-9(8-17)2-4-12/h1-7,15,17H,8,14H2
InChIKeyJNADOFIGQWQOBL-UHFFFAOYSA-N
XLogP2.16
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
[4-[(3-methoxy-5-nitrophenyl)methoxy]phenyl]methanol
CID 81152309
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
CID 80906532
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
2-[4-(3-methoxy-5-nitrophenoxy)phenyl]ethanamine
CID 80742831
N-methyl-3-nitro-5-(4-propan-2-ylphenoxy)aniline
CID 80867666
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol?
The IUPAC name of [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol (CID 80920971) is [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol is NNc1cc(Oc2ccc(CO)cc2)cc([N+](=O)[O-])c1.
What is the InChIKey of [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol?
The InChIKey is JNADOFIGQWQOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-15-10-5-11(16(18)19)7-13(6-10)20-12-3-1-9(8-17)2-4-12/h1-7,15,17H,8,14H2.
What are the key properties of [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol?
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol has a molecular weight of 275.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 80920971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).