(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate

C22H16ClNO8 — CID 20998325

IUPAC(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate
SMILESO=C(O)c1cccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H15NO4.ClHO4/c24-17-9-10-20-18(12-17)19(13-21(27-20)14-5-2-1-3-6-14)23-16-8-4-7-15(11-16)22(25)26;2-1(3,4)5/h1-13,24H,(H,25,26);(H,2,3,4,5)/b23-19+;
InChIKeySOKAGXNTVZSQLG-IMPZXOFZSA-N
MW457.82 g/mol
LogP-1.94
Rot. Bonds3

About (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate

(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate (PubChem CID 20998325) has the molecular formula C22H16ClNO8 and a molecular weight of 457.82 g/mol. Its IUPAC name is (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate.

Molecular Properties

Compound Name(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate
PubChem CID20998325
Molecular FormulaC22H16ClNO8
Molecular Weight457.82 g/mol
Exact Mass457.06
IUPAC Name(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate
SMILESO=C(O)c1cccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H15NO4.ClHO4/c24-17-9-10-20-18(12-17)19(13-21(27-20)14-5-2-1-3-6-14)23-16-8-4-7-15(11-16)22(25)26;2-1(3,4)5/h1-13,24H,(H,25,26);(H,2,3,4,5)/b23-19+;
InChIKeySOKAGXNTVZSQLG-IMPZXOFZSA-N
XLogP-1.94
TPSA176.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.82
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
CID 20998329
(6-ethyl-2-phenylchromen-4-ylidene)-(4-hydroxyphenyl)azanium tetrafluoroborate
CID 18593703
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
(6-ethyl-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 2793149
[2-(4-chlorophenyl)chromen-4-ylidene]-[3-(trifluoromethyl)phenyl]azanium tetrafluoroborate
CID 23411942
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
(6-bromo-2-phenylchromen-4-ylidene)-(3-chloro-4-fluorophenyl)azanium tetrafluoroborate
CID 20997881
7-hydroxy-2-phenylchromen-4-one
CID 5281894
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
[2-(4-chlorophenyl)chromen-4-ylidene]-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 23411920
3-(5,6-dichloro-1-benzofuran-2-yl)benzoic acid
CID 11426765
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275

Frequently Asked Questions

What is the IUPAC name of (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate?
The IUPAC name of (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate (CID 20998325) is (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate.
What is the SMILES notation for (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate?
The canonical SMILES for (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate is O=C(O)c1cccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(O)cc23)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate?
The InChIKey is SOKAGXNTVZSQLG-IMPZXOFZSA-N. The full InChI is InChI=1S/C22H15NO4.ClHO4/c24-17-9-10-20-18(12-17)19(13-21(27-20)14-5-2-1-3-6-14)23-16-8-4-7-15(11-16)22(25)26;2-1(3,4)5/h1-13,24H,(H,25,26);(H,2,3,4,5)/b23-19+;.
What are the key properties of (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate?
(3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate has a molecular weight of 457.82 g/mol, XLogP of -1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxyphenyl)-(6-hydroxy-2-phenylchromen-4-ylidene)azanium perchlorate is sourced from PubChem (CID 20998325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).