4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene

C17H17NO3 — CID 154972368

IUPAC4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(C2CC2[N+](=O)[O-])c1
InChIInChI=1S/C17H17NO3/c1-12-7-8-17(21-11-13-5-3-2-4-6-13)15(9-12)14-10-16(14)18(19)20/h2-9,14,16H,10-11H2,1H3
InChIKeyOCHYEVBEGGERHO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.71
Rot. Bonds5

About 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene

4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene (PubChem CID 154972368) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene
PubChem CID154972368
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(C2CC2[N+](=O)[O-])c1
InChIInChI=1S/C17H17NO3/c1-12-7-8-17(21-11-13-5-3-2-4-6-13)15(9-12)14-10-16(14)18(19)20/h2-9,14,16H,10-11H2,1H3
InChIKeyOCHYEVBEGGERHO-UHFFFAOYSA-N
XLogP3.71
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.71
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 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene?
The IUPAC name of 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene (CID 154972368) is 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene?
The canonical SMILES for 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene is Cc1ccc(OCc2ccccc2)c(C2CC2[N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene?
The InChIKey is OCHYEVBEGGERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-7-8-17(21-11-13-5-3-2-4-6-13)15(9-12)14-10-16(14)18(19)20/h2-9,14,16H,10-11H2,1H3.
What are the key properties of 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene?
4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene has a molecular weight of 283.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 154972368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).