2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene

C15H15NO4 — CID 152649454

IUPAC2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
SMILESCOc1cccc(Oc2c(C)cc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-7-12(16(17)18)8-11(2)15(10)20-14-6-4-5-13(9-14)19-3/h4-9H,1-3H3
InChIKeyZHGAQOZKBYJUSX-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.01
Rot. Bonds4

About 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene

2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene (PubChem CID 152649454) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
PubChem CID152649454
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
SMILESCOc1cccc(Oc2c(C)cc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H15NO4/c1-10-7-12(16(17)18)8-11(2)15(10)20-14-6-4-5-13(9-14)19-3/h4-9H,1-3H3
InChIKeyZHGAQOZKBYJUSX-UHFFFAOYSA-N
XLogP4.01
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.01
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

2-(4-methoxyphenoxy)-3-methyl-5-nitrobenzonitrile
CID 59942419
2-[4-methoxy-3-(4-methylphenyl)phenoxy]-1,3-dimethyl-5-nitrobenzene
CID 102006812
1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
1-methoxy-3-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
CID 166074049
1-methoxy-3-nitrobenzene;sulfuryl dichloride
CID 87396674
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene?
The IUPAC name of 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene (CID 152649454) is 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene?
The canonical SMILES for 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene is COc1cccc(Oc2c(C)cc([N+](=O)[O-])cc2C)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene?
The InChIKey is ZHGAQOZKBYJUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-7-12(16(17)18)8-11(2)15(10)20-14-6-4-5-13(9-14)19-3/h4-9H,1-3H3.
What are the key properties of 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene?
2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene has a molecular weight of 273.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene is sourced from PubChem (CID 152649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).