[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride

C19H22ClNO3 — CID 44564099

IUPAC[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
SMILESC=CCOc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-]
InChIInChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;
InChIKeyIIHJBWOYKJXCGN-YSMBQZINSA-N
MW347.84 g/mol
LogP0.32
Rot. Bonds7

About [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride

[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride (PubChem CID 44564099) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride.

Molecular Properties

Compound Name[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
PubChem CID44564099
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
SMILESC=CCOc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-]
InChIInChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;
InChIKeyIIHJBWOYKJXCGN-YSMBQZINSA-N
XLogP0.32
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44564060
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
CID 58281563
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265
1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
CID 155539368
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
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
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
CID 166173179

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride?
The IUPAC name of [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride (CID 44564099) is [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride.
What is the SMILES notation for [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride?
The canonical SMILES for [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride is C=CCOc1cc(/C=C\c2ccc(OC)c([NH3+])c2)cc(OC)c1.[Cl-].
What is the InChIKey of [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride?
The InChIKey is IIHJBWOYKJXCGN-YSMBQZINSA-N. The full InChI is InChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;.
What are the key properties of [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride?
[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride has a molecular weight of 347.84 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride is sourced from PubChem (CID 44564099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).