1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene

C15H14ClNO3 — CID 118967411

IUPAC1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
SMILESCc1cc(Cl)c(OCc2ccccc2[N+](=O)[O-])cc1C
InChIInChI=1S/C15H14ClNO3/c1-10-7-13(16)15(8-11(10)2)20-9-12-5-3-4-6-14(12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyMTYXIIHATUXPMN-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.44
Rot. Bonds4

About 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene

1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene (PubChem CID 118967411) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
PubChem CID118967411
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
SMILESCc1cc(Cl)c(OCc2ccccc2[N+](=O)[O-])cc1C
InChIInChI=1S/C15H14ClNO3/c1-10-7-13(16)15(8-11(10)2)20-9-12-5-3-4-6-14(12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyMTYXIIHATUXPMN-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

4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
4-methyl-3-[(2-nitrophenyl)methoxy]benzonitrile
CID 103760077
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
5-(bromomethyl)-1,3-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 10784024
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene (CID 118967411) is 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene is Cc1cc(Cl)c(OCc2ccccc2[N+](=O)[O-])cc1C.
What is the InChIKey of 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene?
The InChIKey is MTYXIIHATUXPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-7-13(16)15(8-11(10)2)20-9-12-5-3-4-6-14(12)17(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene?
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene 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-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 118967411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).