1-nitro-2-phenylmethoxybenzene

C13H11NO3 — CID 736266

IUPAC1-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccccc1
InChIInChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZYWSXGRMDPBISP-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.17
Rot. Bonds4

About 1-nitro-2-phenylmethoxybenzene

1-nitro-2-phenylmethoxybenzene (PubChem CID 736266) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-nitro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-nitro-2-phenylmethoxybenzene
PubChem CID736266
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccccc1
InChIInChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZYWSXGRMDPBISP-UHFFFAOYSA-N
XLogP3.17
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-phenylmethoxybenzene?
The IUPAC name of 1-nitro-2-phenylmethoxybenzene (CID 736266) is 1-nitro-2-phenylmethoxybenzene.
What is the SMILES notation for 1-nitro-2-phenylmethoxybenzene?
The canonical SMILES for 1-nitro-2-phenylmethoxybenzene is O=[N+]([O-])c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-nitro-2-phenylmethoxybenzene?
The InChIKey is ZYWSXGRMDPBISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-nitro-2-phenylmethoxybenzene?
1-nitro-2-phenylmethoxybenzene has a molecular weight of 229.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-phenylmethoxybenzene is sourced from PubChem (CID 736266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).