[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate

C18H15BClF4NO — CID 23411961

IUPAC[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
SMILESC=CC/[NH+]=c1\cc(-c2ccc(Cl)cc2)oc2ccccc12.F[B-](F)(F)F
InChIInChI=1S/C18H14ClNO.BF4/c1-2-11-20-16-12-18(13-7-9-14(19)10-8-13)21-17-6-4-3-5-15(16)17;2-1(3,4)5/h2-10,12H,1,11H2;/q;-1/p+1/b20-16+;
InChIKeyFTFDJIQLSNCPMS-QTNJPTFUSA-O
MW383.58 g/mol
LogP4.22
Rot. Bonds3

About [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate

[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate (PubChem CID 23411961) has the molecular formula C18H15BClF4NO and a molecular weight of 383.58 g/mol. Its IUPAC name is [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
PubChem CID23411961
Molecular FormulaC18H15BClF4NO
Molecular Weight383.58 g/mol
Exact Mass383.09
IUPAC Name[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
SMILESC=CC/[NH+]=c1\cc(-c2ccc(Cl)cc2)oc2ccccc12.F[B-](F)(F)F
InChIInChI=1S/C18H14ClNO.BF4/c1-2-11-20-16-12-18(13-7-9-14(19)10-8-13)21-17-6-4-3-5-15(16)17;2-1(3,4)5/h2-10,12H,1,11H2;/q;-1/p+1/b20-16+;
InChIKeyFTFDJIQLSNCPMS-QTNJPTFUSA-O
XLogP4.22
TPSA27.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)chromen-4-ylidene]-[3-(trifluoromethyl)phenyl]azanium tetrafluoroborate
CID 23411942
[2-(4-chlorophenyl)chromen-4-ylidene]-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 23411920
(6-chloro-2-phenylchromen-4-ylidene)-(3-prop-1-enylhexa-3,5-dienyl)azanium tetrafluoroborate
CID 73263601
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
CID 91939922
(3-chloro-4-methoxyphenyl)-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411989
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate
CID 23411858
[2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium tetrafluoroborate
CID 23411909
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
2-(4-chlorophenyl)-1-benzofuran-4-ol
CID 71743775
(6-bromo-2-phenylchromen-4-ylidene)-(3-chloro-4-fluorophenyl)azanium tetrafluoroborate
CID 20997881

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate?
The IUPAC name of [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate (CID 23411961) is [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate.
What is the SMILES notation for [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate?
The canonical SMILES for [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate is C=CC/[NH+]=c1\cc(-c2ccc(Cl)cc2)oc2ccccc12.F[B-](F)(F)F.
What is the InChIKey of [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate?
The InChIKey is FTFDJIQLSNCPMS-QTNJPTFUSA-O. The full InChI is InChI=1S/C18H14ClNO.BF4/c1-2-11-20-16-12-18(13-7-9-14(19)10-8-13)21-17-6-4-3-5-15(16)17;2-1(3,4)5/h2-10,12H,1,11H2;/q;-1/p+1/b20-16+;.
What are the key properties of [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate?
[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate has a molecular weight of 383.58 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate is sourced from PubChem (CID 23411961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).