[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate

C17H17Cl2NO5 — CID 43833571

IUPAC[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=C/C=C(\Cl)c2ccc(C)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H16ClNO.ClHO4/c1-13-3-5-14(6-4-13)17(18)11-12-19-15-7-9-16(20-2)10-8-15;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/b17-11-,19-12+;
InChIKeyVDBXEKRMRHBENN-BGKBWVJQSA-N
MW386.23 g/mol
LogP-1.69
Rot. Bonds4

About [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate

[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate (PubChem CID 43833571) has the molecular formula C17H17Cl2NO5 and a molecular weight of 386.23 g/mol. Its IUPAC name is [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate
PubChem CID43833571
Molecular FormulaC17H17Cl2NO5
Molecular Weight386.23 g/mol
Exact Mass385.05
IUPAC Name[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=C/C=C(\Cl)c2ccc(C)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H16ClNO.ClHO4/c1-13-3-5-14(6-4-13)17(18)11-12-19-15-7-9-16(20-2)10-8-15;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/b17-11-,19-12+;
InChIKeyVDBXEKRMRHBENN-BGKBWVJQSA-N
XLogP-1.69
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium
CID 93012319

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate?
The IUPAC name of [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate (CID 43833571) is [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate.
What is the SMILES notation for [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate?
The canonical SMILES for [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate is COc1ccc(/[NH+]=C/C=C(\Cl)c2ccc(C)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate?
The InChIKey is VDBXEKRMRHBENN-BGKBWVJQSA-N. The full InChI is InChI=1S/C17H16ClNO.ClHO4/c1-13-3-5-14(6-4-13)17(18)11-12-19-15-7-9-16(20-2)10-8-15;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/b17-11-,19-12+;.
What are the key properties of [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate?
[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate has a molecular weight of 386.23 g/mol, XLogP of -1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate is sourced from PubChem (CID 43833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).