2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene

C17H17NO5 — CID 72671041

IUPAC2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
SMILESCOCOc1cc(OCc2ccccc2)ccc1C=C[N+](=O)[O-]
InChIInChI=1S/C17H17NO5/c1-21-13-23-17-11-16(8-7-15(17)9-10-18(19)20)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyBXRCMXNDJCBYIA-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.50
Rot. Bonds8

About 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene

2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene (PubChem CID 72671041) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
PubChem CID72671041
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
SMILESCOCOc1cc(OCc2ccccc2)ccc1C=C[N+](=O)[O-]
InChIInChI=1S/C17H17NO5/c1-21-13-23-17-11-16(8-7-15(17)9-10-18(19)20)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeyBXRCMXNDJCBYIA-UHFFFAOYSA-N
XLogP3.50
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
3-(2-nitroethenyl)-6-phenylmethoxy-1H-indole
CID 67443454
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
CID 10688195
1-bromo-4-methoxy-2-[(Z)-2-nitroethenyl]-5-phenylmethoxybenzene
CID 23888814
1-methyl-4-[(E)-2-nitroethenyl]-2,3-bis(phenylmethoxy)benzene
CID 158230678
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 5368263
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene?
The IUPAC name of 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene (CID 72671041) is 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene?
The canonical SMILES for 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene is COCOc1cc(OCc2ccccc2)ccc1C=C[N+](=O)[O-].
What is the InChIKey of 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene?
The InChIKey is BXRCMXNDJCBYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-23-17-11-16(8-7-15(17)9-10-18(19)20)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3.
What are the key properties of 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene?
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene has a molecular weight of 315.33 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 72671041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).