1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene

C20H17NO4 — CID 561294

IUPAC1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c22-21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(11-13-20)24-14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyRLNOVFPFKWIXID-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.75
Rot. Bonds7

About 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene

1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene (PubChem CID 561294) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
PubChem CID561294
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c22-21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(11-13-20)24-14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyRLNOVFPFKWIXID-UHFFFAOYSA-N
XLogP4.75
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.75
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-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 2846057
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
1-nitro-4-[(E)-4-phenylmethoxybut-2-enoxy]benzene
CID 100966430
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The IUPAC name of 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene (CID 561294) is 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene is O=[N+]([O-])c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The InChIKey is RLNOVFPFKWIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(11-13-20)24-14-16-4-2-1-3-5-16/h1-13H,14-15H2.
What are the key properties of 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene has a molecular weight of 335.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene is sourced from PubChem (CID 561294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).