2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene

C14H10Cl3NO3 — CID 43473004

IUPAC2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(CCl)c1
InChIInChI=1S/C14H10Cl3NO3/c15-7-10-5-12(18(19)20)3-4-14(10)21-8-9-1-2-11(16)6-13(9)17/h1-6H,7-8H2
InChIKeyPMJGUZWZBOORHP-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.22
Rot. Bonds5

About 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene

2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene (PubChem CID 43473004) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
PubChem CID43473004
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(CCl)c1
InChIInChI=1S/C14H10Cl3NO3/c15-7-10-5-12(18(19)20)3-4-14(10)21-8-9-1-2-11(16)6-13(9)17/h1-6H,7-8H2
InChIKeyPMJGUZWZBOORHP-UHFFFAOYSA-N
XLogP5.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
2-[[2-(chloromethyl)-4-nitrophenoxy]methyl]-1,3-difluorobenzene
CID 114930597
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
1-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-2-chloro-4-methylbenzene
CID 106864563
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
2-(chloromethyl)-1-[(4-chloro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 63534736
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene?
The IUPAC name of 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene (CID 43473004) is 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene is O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene?
The InChIKey is PMJGUZWZBOORHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c15-7-10-5-12(18(19)20)3-4-14(10)21-8-9-1-2-11(16)6-13(9)17/h1-6H,7-8H2.
What are the key properties of 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene?
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene has a molecular weight of 346.60 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 43473004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).