[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium

C18H22NO2+ — CID 58281563

IUPAC[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
SMILESCOc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1[NH3+]
InChIInChI=1S/C18H21NO2/c1-12-9-15(11-18(21-4)13(12)2)6-5-14-7-8-17(20-3)16(19)10-14/h5-11H,19H2,1-4H3/p+1/b6-5-
InChIKeyKMJVHWHRVPPFLR-WAYWQWQTSA-O
MW284.38 g/mol
LogP3.36
Rot. Bonds4

About [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium

[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium (PubChem CID 58281563) has the molecular formula C18H22NO2+ and a molecular weight of 284.38 g/mol. Its IUPAC name is [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium.

Molecular Properties

Compound Name[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
PubChem CID58281563
Molecular FormulaC18H22NO2+
Molecular Weight284.38 g/mol
Exact Mass284.16
IUPAC Name[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
SMILESCOc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1[NH3+]
InChIInChI=1S/C18H21NO2/c1-12-9-15(11-18(21-4)13(12)2)6-5-14-7-8-17(20-3)16(19)10-14/h5-11H,19H2,1-4H3/p+1/b6-5-
InChIKeyKMJVHWHRVPPFLR-WAYWQWQTSA-O
XLogP3.36
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]-2-methylphenol
CID 59149568
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265
[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
CID 44564099
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide
CID 167072152
[2-(hydroxymethyl)-3-methoxy-5-[(Z)-2-(4-methoxy-3-methylphenyl)ethenyl]phenyl]methanol
CID 58173633
2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol
CID 59180476
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
CID 141307971
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium?
The IUPAC name of [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium (CID 58281563) is [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium.
What is the SMILES notation for [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium?
The canonical SMILES for [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium is COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1[NH3+].
What is the InChIKey of [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium?
The InChIKey is KMJVHWHRVPPFLR-WAYWQWQTSA-O. The full InChI is InChI=1S/C18H21NO2/c1-12-9-15(11-18(21-4)13(12)2)6-5-14-7-8-17(20-3)16(19)10-14/h5-11H,19H2,1-4H3/p+1/b6-5-.
What are the key properties of [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium?
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium has a molecular weight of 284.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium is sourced from PubChem (CID 58281563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).