2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene

C15H14ClNO3 — CID 43350369

IUPAC2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClNO3/c1-10-4-3-5-11(2)15(10)20-9-12-6-7-13(16)14(8-12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyFLXKIVXSHZFTQZ-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.44
Rot. Bonds4

About 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene

2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 43350369) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID43350369
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClNO3/c1-10-4-3-5-11(2)15(10)20-9-12-6-7-13(16)14(8-12)17(18)19/h3-8H,9H2,1-2H3
InChIKeyFLXKIVXSHZFTQZ-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

1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
1,2,4-trichloro-5-[(4-chloro-3-nitrophenyl)methoxy]benzene
CID 43350426
1-chloro-4-(methylperoxymethyl)-2-nitrobenzene
CID 89234318
1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene
CID 43350358
4-[(4-chloro-3-nitrophenyl)methoxy]benzonitrile
CID 43350403
2-[(4-bromo-3-nitrophenyl)methoxy]-1,3,4-trimethylbenzene
CID 115558024
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
CID 115951857
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
3-chloro-4-[(2-methyl-6-nitrophenoxy)methyl]benzonitrile
CID 102665964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene (CID 43350369) is 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene is Cc1cccc(C)c1OCc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is FLXKIVXSHZFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-4-3-5-11(2)15(10)20-9-12-6-7-13(16)14(8-12)17(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene?
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-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 2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 43350369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).