1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene

C25H25NO7 — CID 58864026

IUPAC1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C25H25NO7/c1-29-21-12-11-17(9-10-18-14-23(30-2)25(32-4)24(15-18)31-3)13-22(21)33-16-19-7-5-6-8-20(19)26(27)28/h5-15H,16H2,1-4H3/b10-9-
InChIKeyUMVCLTOQBLEGQN-KTKRTIGZSA-N
MW451.48 g/mol
LogP5.38
Rot. Bonds10

About 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene

1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene (PubChem CID 58864026) has the molecular formula C25H25NO7 and a molecular weight of 451.48 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
PubChem CID58864026
Molecular FormulaC25H25NO7
Molecular Weight451.48 g/mol
Exact Mass451.16
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C25H25NO7/c1-29-21-12-11-17(9-10-18-14-23(30-2)25(32-4)24(15-18)31-3)13-22(21)33-16-19-7-5-6-8-20(19)26(27)28/h5-15H,16H2,1-4H3/b10-9-
InChIKeyUMVCLTOQBLEGQN-KTKRTIGZSA-N
XLogP5.38
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(2-nitrophenyl)methyl]acetamide
CID 87004905
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561
3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253849
benzyl N'-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamimidothioate
CID 168612358
(2-nitrophenyl)methyl 3,4-dimethoxybenzoate
CID 3965784
potassium 3-[2-methoxy-4-[[2-methoxy-5-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]-5-nitrophenoxy]propanoate
CID 158026644
methyl 2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]acetate
CID 164723752

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene (CID 58864026) is 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene?
The InChIKey is UMVCLTOQBLEGQN-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H25NO7/c1-29-21-12-11-17(9-10-18-14-23(30-2)25(32-4)24(15-18)31-3)13-22(21)33-16-19-7-5-6-8-20(19)26(27)28/h5-15H,16H2,1-4H3/b10-9-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene has a molecular weight of 451.48 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene is sourced from PubChem (CID 58864026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).