1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene

C14H12ClNO4 — CID 10661416

IUPAC1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
SMILESCOc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-10(3-5-11)9-20-12-6-7-13(15)14(8-12)16(17)18/h2-8H,9H2,1H3
InChIKeyDMAVUYUFPLGRSW-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.84
Rot. Bonds5

About 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene

1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene (PubChem CID 10661416) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene.

Molecular Properties

Compound Name1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
PubChem CID10661416
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
SMILESCOc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-10(3-5-11)9-20-12-6-7-13(15)14(8-12)16(17)18/h2-8H,9H2,1H3
InChIKeyDMAVUYUFPLGRSW-UHFFFAOYSA-N
XLogP3.84
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
N-[(4-chloro-3-nitrophenyl)methyl]-4-methoxyaniline
CID 71710682
4-[(4-chloro-3-nitrophenyl)methoxy]benzonitrile
CID 43350403
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene
CID 43350469
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
CID 154661760
CID 154661760
1-chloro-4-(methylperoxymethyl)-2-nitrobenzene
CID 89234318
4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
CID 69023273

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene?
The IUPAC name of 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene (CID 10661416) is 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene.
What is the SMILES notation for 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene?
The canonical SMILES for 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene is COc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene?
The InChIKey is DMAVUYUFPLGRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-11-4-2-10(3-5-11)9-20-12-6-7-13(15)14(8-12)16(17)18/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene?
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene has a molecular weight of 293.71 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene is sourced from PubChem (CID 10661416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).