1-nitro-3-[(4-phenylphenoxy)methyl]benzene

C19H15NO3 — CID 58287787

IUPAC1-nitro-3-[(4-phenylphenoxy)methyl]benzene
SMILESO=[N+]([O-])c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyWJXLTKYDRVZCIW-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.84
Rot. Bonds5

About 1-nitro-3-[(4-phenylphenoxy)methyl]benzene

1-nitro-3-[(4-phenylphenoxy)methyl]benzene (PubChem CID 58287787) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-nitro-3-[(4-phenylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-nitro-3-[(4-phenylphenoxy)methyl]benzene
PubChem CID58287787
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-nitro-3-[(4-phenylphenoxy)methyl]benzene
SMILESO=[N+]([O-])c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyWJXLTKYDRVZCIW-UHFFFAOYSA-N
XLogP4.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
4-[(3-nitrophenyl)methoxy]benzenesulfonyl chloride
CID 43108766
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
1-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 46778123
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
1-nitro-3-(2-phenoxyethyl)benzene
CID 54538108

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-[(4-phenylphenoxy)methyl]benzene?
The IUPAC name of 1-nitro-3-[(4-phenylphenoxy)methyl]benzene (CID 58287787) is 1-nitro-3-[(4-phenylphenoxy)methyl]benzene.
What is the SMILES notation for 1-nitro-3-[(4-phenylphenoxy)methyl]benzene?
The canonical SMILES for 1-nitro-3-[(4-phenylphenoxy)methyl]benzene is O=[N+]([O-])c1cccc(COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-nitro-3-[(4-phenylphenoxy)methyl]benzene?
The InChIKey is WJXLTKYDRVZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of 1-nitro-3-[(4-phenylphenoxy)methyl]benzene?
1-nitro-3-[(4-phenylphenoxy)methyl]benzene has a molecular weight of 305.33 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-[(4-phenylphenoxy)methyl]benzene is sourced from PubChem (CID 58287787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).