[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride

C17H20ClNO3 — CID 44564060

IUPAC[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
SMILESCOc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-]
InChIInChI=1S/C17H19NO3.ClH/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12;/h4-11H,18H2,1-3H3;1H/b5-4-;
InChIKeyWSJKEODCXQKBJA-MKWAYWHRSA-N
MW321.80 g/mol
LogP-0.24
Rot. Bonds5

About [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride

[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride (PubChem CID 44564060) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride.

Molecular Properties

Compound Name[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
PubChem CID44564060
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
SMILESCOc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-]
InChIInChI=1S/C17H19NO3.ClH/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12;/h4-11H,18H2,1-3H3;1H/b5-4-;
InChIKeyWSJKEODCXQKBJA-MKWAYWHRSA-N
XLogP-0.24
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
CID 44564099
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
CID 58281563
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
CID 155539368
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
[2-chloro-4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] acetate
CID 68612439

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride?
The IUPAC name of [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride (CID 44564060) is [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride.
What is the SMILES notation for [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride?
The canonical SMILES for [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride is COc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-].
What is the InChIKey of [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride?
The InChIKey is WSJKEODCXQKBJA-MKWAYWHRSA-N. The full InChI is InChI=1S/C17H19NO3.ClH/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12;/h4-11H,18H2,1-3H3;1H/b5-4-;.
What are the key properties of [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride?
[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride has a molecular weight of 321.80 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride is sourced from PubChem (CID 44564060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).