(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate

C23H18ClNO8 — CID 20998329

IUPAC(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
SMILESCOC(=O)c1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H17NO4.ClHO4/c1-27-23(26)16-7-9-17(10-8-16)24-20-14-22(15-5-3-2-4-6-15)28-21-12-11-18(25)13-19(20)21;2-1(3,4)5/h2-14,25H,1H3;(H,2,3,4,5)/b24-20+;
InChIKeyKWBORJAYTSVHJG-UUTNPJQJSA-N
MW471.85 g/mol
LogP-1.85
Rot. Bonds3

About (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate

(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate (PubChem CID 20998329) has the molecular formula C23H18ClNO8 and a molecular weight of 471.85 g/mol. Its IUPAC name is (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate.

Molecular Properties

Compound Name(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
PubChem CID20998329
Molecular FormulaC23H18ClNO8
Molecular Weight471.85 g/mol
Exact Mass471.07
IUPAC Name(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
SMILESCOC(=O)c1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H17NO4.ClHO4/c1-27-23(26)16-7-9-17(10-8-16)24-20-14-22(15-5-3-2-4-6-15)28-21-12-11-18(25)13-19(20)21;2-1(3,4)5/h2-14,25H,1H3;(H,2,3,4,5)/b24-20+;
InChIKeyKWBORJAYTSVHJG-UUTNPJQJSA-N
XLogP-1.85
TPSA165.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.85
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(6-ethyl-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 2793149
(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate
CID 20998325
[2-(4-chlorophenyl)chromen-4-ylidene]-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 23411920
(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate
CID 18593703
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
methyl 4-(5-hydroxy-4-oxochromen-2-yl)benzoate
CID 73350464
(E)-[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium perchlorate
CID 20998193
methyl dibenzofuran-2-carboxylate
CID 3702628
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate?
The IUPAC name of (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate (CID 20998329) is (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate.
What is the SMILES notation for (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate?
The canonical SMILES for (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate is COC(=O)c1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate?
The InChIKey is KWBORJAYTSVHJG-UUTNPJQJSA-N. The full InChI is InChI=1S/C23H17NO4.ClHO4/c1-27-23(26)16-7-9-17(10-8-16)24-20-14-22(15-5-3-2-4-6-15)28-21-12-11-18(25)13-19(20)21;2-1(3,4)5/h2-14,25H,1H3;(H,2,3,4,5)/b24-20+;.
What are the key properties of (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate?
(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate has a molecular weight of 471.85 g/mol, XLogP of -1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate is sourced from PubChem (CID 20998329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).