4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene

C19H15NO4 — CID 155192060

IUPAC4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H15NO4/c1-23-17-11-12-18(14-5-3-2-4-6-14)19(13-17)24-16-9-7-15(8-10-16)20(21)22/h2-13H,1H3
InChIKeyASEYTLDQEMXGRC-UHFFFAOYSA-N
MW321.33 g/mol
LogP5.06
Rot. Bonds5

About 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene

4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene (PubChem CID 155192060) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene.

Molecular Properties

Compound Name4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
PubChem CID155192060
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H15NO4/c1-23-17-11-12-18(14-5-3-2-4-6-14)19(13-17)24-16-9-7-15(8-10-16)20(21)22/h2-13H,1H3
InChIKeyASEYTLDQEMXGRC-UHFFFAOYSA-N
XLogP5.06
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 55.06
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-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
1-[4-(1-bromoethyl)phenyl]-2-(4-nitrophenoxy)benzene
CID 67843561
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
CID 60528720
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene?
The IUPAC name of 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene (CID 155192060) is 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene.
What is the SMILES notation for 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene?
The canonical SMILES for 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene is COc1ccc(-c2ccccc2)c(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene?
The InChIKey is ASEYTLDQEMXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-23-17-11-12-18(14-5-3-2-4-6-14)19(13-17)24-16-9-7-15(8-10-16)20(21)22/h2-13H,1H3.
What are the key properties of 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene?
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene has a molecular weight of 321.33 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene is sourced from PubChem (CID 155192060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).