(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate

C23H20BF4NO2 — CID 18593703

IUPAC(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate
SMILESCCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\c3ccc(O)cc3)c2c1.F[B-](F)(F)F
InChIInChI=1S/C23H19NO2.BF4/c1-2-16-8-13-22-20(14-16)21(24-18-9-11-19(25)12-10-18)15-23(26-22)17-6-4-3-5-7-17;2-1(3,4)5/h3-15,25H,2H2,1H3;/q;-1/p+1/b24-21+;
InChIKeyAELABRZVRRNGAS-BBCFSJFZSA-O
MW429.22 g/mol
LogP4.98
Rot. Bonds3

About (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate

(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate (PubChem CID 18593703) has the molecular formula C23H20BF4NO2 and a molecular weight of 429.22 g/mol. Its IUPAC name is (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate.

Molecular Properties

Compound Name(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate
PubChem CID18593703
Molecular FormulaC23H20BF4NO2
Molecular Weight429.22 g/mol
Exact Mass429.15
IUPAC Name(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate
SMILESCCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\c3ccc(O)cc3)c2c1.F[B-](F)(F)F
InChIInChI=1S/C23H19NO2.BF4/c1-2-16-8-13-22-20(14-16)21(24-18-9-11-19(25)12-10-18)15-23(26-22)17-6-4-3-5-7-17;2-1(3,4)5/h3-15,25H,2H2,1H3;/q;-1/p+1/b24-21+;
InChIKeyAELABRZVRRNGAS-BBCFSJFZSA-O
XLogP4.98
TPSA47.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate?
The IUPAC name of (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate (CID 18593703) is (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate.
What is the SMILES notation for (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate?
The canonical SMILES for (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate is CCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\c3ccc(O)cc3)c2c1.F[B-](F)(F)F.
What is the InChIKey of (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate?
The InChIKey is AELABRZVRRNGAS-BBCFSJFZSA-O. The full InChI is InChI=1S/C23H19NO2.BF4/c1-2-16-8-13-22-20(14-16)21(24-18-9-11-19(25)12-10-18)15-23(26-22)17-6-4-3-5-7-17;2-1(3,4)5/h3-15,25H,2H2,1H3;/q;-1/p+1/b24-21+;.
What are the key properties of (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate?
(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate has a molecular weight of 429.22 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate is sourced from PubChem (CID 18593703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).