1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene

C15H14ClNO3 — CID 64764424

IUPAC1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H14ClNO3/c1-10-3-6-15(11(2)7-10)20-9-12-4-5-13(16)8-14(12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyCWCBZEMKCVPKEX-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.44
Rot. Bonds4

About 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene

1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene (PubChem CID 64764424) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
PubChem CID64764424
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H14ClNO3/c1-10-3-6-15(11(2)7-10)20-9-12-4-5-13(16)8-14(12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyCWCBZEMKCVPKEX-UHFFFAOYSA-N
XLogP4.44
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(chloromethyl)-1-[(4-chloro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 63534736
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
[3-bromo-4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 63046517
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
1-bromo-4-[(4-chloro-2-methylphenoxy)methyl]-2-nitrobenzene
CID 115557964
1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
CID 114382705
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene (CID 64764424) is 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene is Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene?
The InChIKey is CWCBZEMKCVPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-3-6-15(11(2)7-10)20-9-12-4-5-13(16)8-14(12)17(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene?
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene has a molecular weight of 291.73 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 64764424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).