4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene

C17H17NO3 — CID 11000537

IUPAC4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
SMILESCOc1ccc(/C=C\c2ccc(C)c(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17NO3/c1-12-4-5-14(10-13(12)2)6-7-15-8-9-17(21-3)16(11-15)18(19)20/h4-11H,1-3H3/b7-6-
InChIKeyJNCWAJRLIRWIIA-SREVYHEPSA-N
MW283.33 g/mol
LogP4.39
Rot. Bonds4

About 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene

4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene (PubChem CID 11000537) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
PubChem CID11000537
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
SMILESCOc1ccc(/C=C\c2ccc(C)c(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17NO3/c1-12-4-5-14(10-13(12)2)6-7-15-8-9-17(21-3)16(11-15)18(19)20/h4-11H,1-3H3/b7-6-
InChIKeyJNCWAJRLIRWIIA-SREVYHEPSA-N
XLogP4.39
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
4-methoxy-3-nitrobenzaldehyde
CID 700608
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
CID 57480489
4-[3-(3,5-dimethoxyphenyl)prop-1-enyl]-1-methoxy-2-nitrobenzene
CID 69347901
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
(E)-1-(4-iodophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 5287289
2-[3-methoxy-5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenoxy]acetic acid
CID 25050822
2-methoxy-1-nitro-4-prop-1-enylbenzene
CID 175860863
5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole
CID 53374250
(E)-3-(4-methyl-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 51170420

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene (CID 11000537) is 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene is COc1ccc(/C=C\c2ccc(C)c(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene?
The InChIKey is JNCWAJRLIRWIIA-SREVYHEPSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-5-14(10-13(12)2)6-7-15-8-9-17(21-3)16(11-15)18(19)20/h4-11H,1-3H3/b7-6-.
What are the key properties of 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene?
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene has a molecular weight of 283.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene is sourced from PubChem (CID 11000537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).