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

C17H17NO5 — CID 14256048

IUPAC1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO5/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)18(19)20/h4-11H,1-3H3/b5-4-
InChIKeyUDXWNMYENXAKPA-PLNGDYQASA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds6

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

1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 14256048) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID14256048
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO5/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)18(19)20/h4-11H,1-3H3/b5-4-
InChIKeyUDXWNMYENXAKPA-PLNGDYQASA-N
XLogP3.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
5-[(Z)-2-[3-[cyclopropylidene-(4-nitrophenoxy)methoxy]-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 142190458
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
1,2-dimethoxy-3-[(4-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 158056126
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
(4-nitrophenyl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2534321
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
[2-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenyl] dimethyl phosphate
CID 68977103
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene (CID 14256048) is 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene is COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is UDXWNMYENXAKPA-PLNGDYQASA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)18(19)20/h4-11H,1-3H3/b5-4-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 315.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 14256048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).