2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol

C14H15N3O4 — CID 169386673

IUPAC2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
SMILESCOc1c(O)cc(CNNc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-21-14-12(17(19)20)7-10(8-13(14)18)9-15-16-11-5-3-2-4-6-11/h2-8,15-16,18H,9H2,1H3
InChIKeyXHOYSOFNRIPGCD-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol

2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169386673) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169386673
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
SMILESCOc1c(O)cc(CNNc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-21-14-12(17(19)20)7-10(8-13(14)18)9-15-16-11-5-3-2-4-6-11/h2-8,15-16,18H,9H2,1H3
InChIKeyXHOYSOFNRIPGCD-UHFFFAOYSA-N
XLogP2.43
TPSA96.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

methyl 3-nitro-5-[(2-phenylhydrazinyl)methyl]benzoate
CID 169384704
4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
CID 169386178
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238
methyl 2-nitro-6-[(2-phenylhydrazinyl)methyl]benzoate
CID 169386668
2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169385803
1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
CID 169386634
methyl 3-hydroxy-4-methoxy-5-nitrobenzoate
CID 171036678
4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
potassium 2-methoxy-3-nitrophenol
CID 67083613
methyl 3,5-dinitro-4-phenoxybenzoate
CID 54552579

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol (CID 169386673) is 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol is COc1c(O)cc(CNNc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is XHOYSOFNRIPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-14-12(17(19)20)7-10(8-13(14)18)9-15-16-11-5-3-2-4-6-11/h2-8,15-16,18H,9H2,1H3.
What are the key properties of 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol?
2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 289.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169386673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).