4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol

C14H15N3O3 — CID 57008616

IUPAC4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
SMILESO=[N+]([O-])c1ccc(CNNCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15N3O3/c18-14-7-3-12(4-8-14)10-16-15-9-11-1-5-13(6-2-11)17(19)20/h1-8,15-16,18H,9-10H2
InChIKeyMAGNDBRCJIJKAR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.09
Rot. Bonds6

About 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol

4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol (PubChem CID 57008616) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
PubChem CID57008616
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
SMILESO=[N+]([O-])c1ccc(CNNCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15N3O3/c18-14-7-3-12(4-8-14)10-16-15-9-11-1-5-13(6-2-11)17(19)20/h1-8,15-16,18H,9-10H2
InChIKeyMAGNDBRCJIJKAR-UHFFFAOYSA-N
XLogP2.09
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
calcium;hydride;4-nitrophenol
CID 173414286
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
4-[(2,4-dinitroanilino)methyl]phenol
CID 46530969
4-nitrophenol;propan-2-one
CID 18924338
1-nitro-4-[(sulfinoamino)methyl]benzene
CID 56997161
4-methylphenol;4-nitrophenol
CID 68529378
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
4-[2-[[(4-nitrophenyl)methylamino]methyl]-1,3-thiazol-4-yl]phenol
CID 174450675
octakis(4-nitrophenol);tetrakis(1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane);tetrahydrate
CID 139075544

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol?
The IUPAC name of 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol (CID 57008616) is 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol.
What is the SMILES notation for 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol?
The canonical SMILES for 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol is O=[N+]([O-])c1ccc(CNNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol?
The InChIKey is MAGNDBRCJIJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14-7-3-12(4-8-14)10-16-15-9-11-1-5-13(6-2-11)17(19)20/h1-8,15-16,18H,9-10H2.
What are the key properties of 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol?
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol has a molecular weight of 273.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol is sourced from PubChem (CID 57008616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).