7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene

C20H17NO4 — CID 10688195

IUPAC7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
SMILESCOc1ccc2ccc(OCc3ccccc3)c(/C=C/[N+](=O)[O-])c2c1
InChIInChI=1S/C20H17NO4/c1-24-17-9-7-16-8-10-20(25-14-15-5-3-2-4-6-15)18(19(16)13-17)11-12-21(22)23/h2-13H,14H2,1H3/b12-11+
InChIKeyUVONNQLYMRRPAS-VAWYXSNFSA-N
MW335.36 g/mol
LogP4.67
Rot. Bonds6

About 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene

7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene (PubChem CID 10688195) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene.

Molecular Properties

Compound Name7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
PubChem CID10688195
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
SMILESCOc1ccc2ccc(OCc3ccccc3)c(/C=C/[N+](=O)[O-])c2c1
InChIInChI=1S/C20H17NO4/c1-24-17-9-7-16-8-10-20(25-14-15-5-3-2-4-6-15)18(19(16)13-17)11-12-21(22)23/h2-13H,14H2,1H3/b12-11+
InChIKeyUVONNQLYMRRPAS-VAWYXSNFSA-N
XLogP4.67
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.67
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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Related Compounds

1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
CID 10946993
2-nitro-3-[(E)-2-nitroethenyl]-1,4,5-tris(phenylmethoxy)benzene
CID 14164851
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
1-bromo-4-methoxy-2-[(Z)-2-nitroethenyl]-5-phenylmethoxybenzene
CID 23888814
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 23972782
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
sodium 5-methoxy-2-phenylmethoxybenzenesulfonate
CID 112758476
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175246
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene?
The IUPAC name of 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene (CID 10688195) is 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene.
What is the SMILES notation for 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene?
The canonical SMILES for 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene is COc1ccc2ccc(OCc3ccccc3)c(/C=C/[N+](=O)[O-])c2c1.
What is the InChIKey of 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene?
The InChIKey is UVONNQLYMRRPAS-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-17-9-7-16-8-10-20(25-14-15-5-3-2-4-6-15)18(19(16)13-17)11-12-21(22)23/h2-13H,14H2,1H3/b12-11+.
What are the key properties of 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene?
7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene has a molecular weight of 335.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene is sourced from PubChem (CID 10688195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).