1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene

C20H14F3NO4 — CID 142715940

IUPAC1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H14F3NO4/c21-20(22,23)15-6-8-16(9-7-15)28-17-10-11-18(24(25)26)19(12-17)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyQMJIQMZVNLNRTF-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.98
Rot. Bonds6

About 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene

1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 142715940) has the molecular formula C20H14F3NO4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID142715940
Molecular FormulaC20H14F3NO4
Molecular Weight389.33 g/mol
Exact Mass389.09
IUPAC Name1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H14F3NO4/c21-20(22,23)15-6-8-16(9-7-15)28-17-10-11-18(24(25)26)19(12-17)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyQMJIQMZVNLNRTF-UHFFFAOYSA-N
XLogP5.98
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.98
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'}

Analyze 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
N-[2-fluoro-5-(trifluoromethyl)anilino]-N-[4-(4-nitro-3-phenylmethoxyphenoxy)phenyl]formamide
CID 87821387
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
1-nitro-4-[4-nitro-3-(2,2,2-trifluoroethoxy)phenoxy]-2-(2,2,2-trifluoroethoxy)benzene
CID 88829100
CID 68839040
CID 68839040
(4-nitro-3-phenylmethoxyphenyl) benzenecarboperoxoate
CID 150277979
1-(4-methoxy-2-phenylmethoxyphenyl)-2-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 24750429
1-[4-chloro-2-(4-nitro-3-phenylmethoxyphenoxy)phenyl]-N-methylmethanamine
CID 69465636
benzyl 4-[[7-(4-nitro-3-phenylmethoxyphenoxy)-1,10-phenanthrolin-4-yl]oxy]benzoate
CID 22979039
2-methyl-1-nitro-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]benzene
CID 71378325
2-[2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]phenoxy]acetic acid
CID 19932402
2-[2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]phenoxy]acetate
CID 19932401

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene (CID 142715940) is 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene is O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1.
What is the InChIKey of 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is QMJIQMZVNLNRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO4/c21-20(22,23)15-6-8-16(9-7-15)28-17-10-11-18(24(25)26)19(12-17)27-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 389.33 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 142715940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).