2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene

C16H15NO4 — CID 5354917

IUPAC2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C16H15NO4/c1-20-16-11-13(9-10-17(18)19)7-8-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b10-9-
InChIKeyYDGNRJKNDGBMCL-KTKRTIGZSA-N
MW285.30 g/mol
LogP3.52
Rot. Bonds6

About 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene

2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene (PubChem CID 5354917) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene
PubChem CID5354917
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C16H15NO4/c1-20-16-11-13(9-10-17(18)19)7-8-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b10-9-
InChIKeyYDGNRJKNDGBMCL-KTKRTIGZSA-N
XLogP3.52
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene?
The IUPAC name of 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene (CID 5354917) is 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene.
What is the SMILES notation for 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene?
The canonical SMILES for 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene is COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1.
What is the InChIKey of 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene?
The InChIKey is YDGNRJKNDGBMCL-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-16-11-13(9-10-17(18)19)7-8-15(16)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b10-9-.
What are the key properties of 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene?
2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene has a molecular weight of 285.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxybenzene is sourced from PubChem (CID 5354917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).