4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene

C14H10F3NO4 — CID 141135704

IUPAC4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
SMILESCOc1ccccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c1-21-12-4-2-3-5-13(12)22-9-6-7-11(18(19)20)10(8-9)14(15,16)17/h2-8H,1H3
InChIKeyMETGTDOKNNQPCC-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.41
Rot. Bonds4

About 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene

4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene (PubChem CID 141135704) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
PubChem CID141135704
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
SMILESCOc1ccccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c1-21-12-4-2-3-5-13(12)22-9-6-7-11(18(19)20)10(8-9)14(15,16)17/h2-8H,1H3
InChIKeyMETGTDOKNNQPCC-UHFFFAOYSA-N
XLogP4.41
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.41
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

1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
1-bromo-2-[4-nitro-3-(trifluoromethyl)phenoxy]naphthalene
CID 151218252
2-nitro-1,4-bis[2-(trifluoromethyl)phenoxy]benzene
CID 97178511
5-[[3-methoxy-4-[4-nitro-3-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73026655
3-[4-nitro-3-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
CID 7019364
4-[chloro(difluoro)methoxy]-1-nitro-2-(trifluoromethyl)benzene
CID 71669511
2-methyl-1-[4-nitro-3-(trifluoromethyl)phenoxy]propan-2-amine
CID 64536993
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene (CID 141135704) is 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene is COc1ccccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene?
The InChIKey is METGTDOKNNQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c1-21-12-4-2-3-5-13(12)22-9-6-7-11(18(19)20)10(8-9)14(15,16)17/h2-8H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene?
4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene has a molecular weight of 313.23 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141135704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).