[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate

C26H26ClNO8 — CID 20998969

IUPAC[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H25NO4.ClHO4/c1-28-20-10-12-23-21(16-20)22(27-14-13-18-7-5-4-6-8-18)17-25(31-23)19-9-11-24(29-2)26(15-19)30-3;2-1(3,4)5/h4-12,15-17H,13-14H2,1-3H3;(H,2,3,4,5)/b27-22+;
InChIKeyMEPDHTGIWWBWCB-NYUAYZFWSA-N
MW515.95 g/mol
LogP-1.41
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate

[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate (PubChem CID 20998969) has the molecular formula C26H26ClNO8 and a molecular weight of 515.95 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
PubChem CID20998969
Molecular FormulaC26H26ClNO8
Molecular Weight515.95 g/mol
Exact Mass515.13
IUPAC Name[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H25NO4.ClHO4/c1-28-20-10-12-23-21(16-20)22(27-14-13-18-7-5-4-6-8-18)17-25(31-23)19-9-11-24(29-2)26(15-19)30-3;2-1(3,4)5/h4-12,15-17H,13-14H2,1-3H3;(H,2,3,4,5)/b27-22+;
InChIKeyMEPDHTGIWWBWCB-NYUAYZFWSA-N
XLogP-1.41
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
CID 20998984
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate (CID 20998969) is [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate is COc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The InChIKey is MEPDHTGIWWBWCB-NYUAYZFWSA-N. The full InChI is InChI=1S/C26H25NO4.ClHO4/c1-28-20-10-12-23-21(16-20)22(27-14-13-18-7-5-4-6-8-18)17-25(31-23)19-9-11-24(29-2)26(15-19)30-3;2-1(3,4)5/h4-12,15-17H,13-14H2,1-3H3;(H,2,3,4,5)/b27-22+;.
What are the key properties of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate has a molecular weight of 515.95 g/mol, XLogP of -1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate is sourced from PubChem (CID 20998969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).