3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol

C16H15NO5 — CID 25050820

IUPAC3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15NO5/c1-21-14-8-12(7-13(18)10-14)4-3-11-5-6-16(22-2)15(9-11)17(19)20/h3-10,18H,1-2H3/b4-3-
InChIKeyLKFMHVZEODFYHK-ARJAWSKDSA-N
MW301.30 g/mol
LogP3.49
Rot. Bonds5

About 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol

3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol (PubChem CID 25050820) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
PubChem CID25050820
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15NO5/c1-21-14-8-12(7-13(18)10-14)4-3-11-5-6-16(22-2)15(9-11)17(19)20/h3-10,18H,1-2H3/b4-3-
InChIKeyLKFMHVZEODFYHK-ARJAWSKDSA-N
XLogP3.49
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
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

2-[3-methoxy-5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenoxy]acetic acid
CID 25050822
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
4-[3-(3,5-dimethoxyphenyl)prop-1-enyl]-1-methoxy-2-nitrobenzene
CID 69347901
4-methoxy-3-nitrobenzaldehyde
CID 700608
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
CID 57480489
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
(E)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 135360114
1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
(E)-1-(4-iodophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 5287289

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol?
The IUPAC name of 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol (CID 25050820) is 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol.
What is the SMILES notation for 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol?
The canonical SMILES for 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol is COc1cc(O)cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol?
The InChIKey is LKFMHVZEODFYHK-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-14-8-12(7-13(18)10-14)4-3-11-5-6-16(22-2)15(9-11)17(19)20/h3-10,18H,1-2H3/b4-3-.
What are the key properties of 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol?
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol has a molecular weight of 301.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol is sourced from PubChem (CID 25050820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).