4-nitro-1-phenoxy-2-phenylmethoxybenzene

C19H15NO4 — CID 139434061

IUPAC4-nitro-1-phenoxy-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C19H15NO4/c21-20(22)16-11-12-18(24-17-9-5-2-6-10-17)19(13-16)23-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyKNXHAAAJSIFMIX-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.97
Rot. Bonds6

About 4-nitro-1-phenoxy-2-phenylmethoxybenzene

4-nitro-1-phenoxy-2-phenylmethoxybenzene (PubChem CID 139434061) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-nitro-1-phenoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-nitro-1-phenoxy-2-phenylmethoxybenzene
PubChem CID139434061
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-nitro-1-phenoxy-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C19H15NO4/c21-20(22)16-11-12-18(24-17-9-5-2-6-10-17)19(13-16)23-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyKNXHAAAJSIFMIX-UHFFFAOYSA-N
XLogP4.97
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.97
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 4-nitro-1-phenoxy-2-phenylmethoxybenzene 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

4-nitro-2-[(5-nitro-2-phenylmethoxyphenyl)disulfanyl]-1-phenylmethoxybenzene
CID 4985783
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
2-chloro-1-[4-[(2-methoxyphenoxy)methyl]phenoxy]-4-nitrobenzene
CID 1313653
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-(5-nitro-2-phenoxyphenyl)propan-1-amine
CID 170867550
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
CID 91441095
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
4-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 141280953
(2S)-3-(5-nitro-2-phenylmethoxyphenyl)propane-1,2-diol
CID 11738205
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-phenoxy-2-phenylmethoxybenzene?
The IUPAC name of 4-nitro-1-phenoxy-2-phenylmethoxybenzene (CID 139434061) is 4-nitro-1-phenoxy-2-phenylmethoxybenzene.
What is the SMILES notation for 4-nitro-1-phenoxy-2-phenylmethoxybenzene?
The canonical SMILES for 4-nitro-1-phenoxy-2-phenylmethoxybenzene is O=[N+]([O-])c1ccc(Oc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-nitro-1-phenoxy-2-phenylmethoxybenzene?
The InChIKey is KNXHAAAJSIFMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-20(22)16-11-12-18(24-17-9-5-2-6-10-17)19(13-16)23-14-15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of 4-nitro-1-phenoxy-2-phenylmethoxybenzene?
4-nitro-1-phenoxy-2-phenylmethoxybenzene has a molecular weight of 321.33 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-phenoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 139434061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).