[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

C14H14ClN3O3 — CID 62246559

IUPAC[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cc(OCc2ccc(NN)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-13(17-16)14(7-10)18(19)20/h2-7,17H,8,16H2,1H3
InChIKeyXSRDLPLNAXNAOS-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.42
Rot. Bonds5

About [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 62246559) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID62246559
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cc(OCc2ccc(NN)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-13(17-16)14(7-10)18(19)20/h2-7,17H,8,16H2,1H3
InChIKeyXSRDLPLNAXNAOS-UHFFFAOYSA-N
XLogP3.42
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 83136867
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
4-[(3,5-dichlorophenoxy)methyl]-N-methyl-2-nitroaniline
CID 63486562
[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62886125
N-methyl-4-[(3-methylphenoxy)methyl]-2-nitroaniline
CID 62194587
4-[(3-chlorophenoxy)methyl]-N-ethyl-2-nitroaniline
CID 63486020
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
4-[(4-chloro-3-nitrophenyl)methoxy]benzonitrile
CID 43350403

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (CID 62246559) is [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is Cc1cc(OCc2ccc(NN)c([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is XSRDLPLNAXNAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-13(17-16)14(7-10)18(19)20/h2-7,17H,8,16H2,1H3.
What are the key properties of [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 307.74 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 62246559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).