1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene

C17H17NO5 — CID 10946993

IUPAC1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(COc2cc(/C=C/[N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-15-6-3-14(4-7-15)12-23-17-11-13(9-10-18(19)20)5-8-16(17)22-2/h3-11H,12H2,1-2H3/b10-9+
InChIKeyOWHYUNBXVXIEAQ-MDZDMXLPSA-N
MW315.33 g/mol
LogP3.53
Rot. Bonds7

About 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene

1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene (PubChem CID 10946993) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
PubChem CID10946993
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(COc2cc(/C=C/[N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-15-6-3-14(4-7-15)12-23-17-11-13(9-10-18(19)20)5-8-16(17)22-2/h3-11H,12H2,1-2H3/b10-9+
InChIKeyOWHYUNBXVXIEAQ-MDZDMXLPSA-N
XLogP3.53
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175246
7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
CID 10688195
[2-methoxy-5-(2-nitroethenyl)phenyl] acetate
CID 131865778
1-(2-ethoxyethoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730339
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
CID 1260892
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
CID 23774722
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(4-ethoxyphenyl)propanoate
CID 19226161
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene (CID 10946993) is 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene is COc1ccc(COc2cc(/C=C/[N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene?
The InChIKey is OWHYUNBXVXIEAQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-15-6-3-14(4-7-15)12-23-17-11-13(9-10-18(19)20)5-8-16(17)22-2/h3-11H,12H2,1-2H3/b10-9+.
What are the key properties of 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene?
1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene has a molecular weight of 315.33 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 10946993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).