2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate

C20H20ClNO8 — CID 20998297

IUPAC2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
SMILESCOc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19NO4.ClHO4/c1-23-16-5-2-14(3-6-16)20-13-18(21-8-10-24-11-9-21)17-12-15(22)4-7-19(17)25-20;2-1(3,4)5/h2-7,12-13H,8-11H2,1H3;(H,2,3,4,5)
InChIKeyDIJUFXUACWOUSB-UHFFFAOYSA-N
MW437.83 g/mol
LogP-2.14
Rot. Bonds2

About 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate

2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate (PubChem CID 20998297) has the molecular formula C20H20ClNO8 and a molecular weight of 437.83 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
PubChem CID20998297
Molecular FormulaC20H20ClNO8
Molecular Weight437.83 g/mol
Exact Mass437.09
IUPAC Name2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
SMILESCOc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19NO4.ClHO4/c1-23-16-5-2-14(3-6-16)20-13-18(21-8-10-24-11-9-21)17-12-15(22)4-7-19(17)25-20;2-1(3,4)5/h2-7,12-13H,8-11H2,1H3;(H,2,3,4,5)
InChIKeyDIJUFXUACWOUSB-UHFFFAOYSA-N
XLogP-2.14
TPSA147.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.83
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
CID 20998221
1-[2-(4-methoxyphenyl)chromen-4-ylidene]piperidin-1-ium perchlorate
CID 86247105
1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
CID 20998984
1-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]pyrrolidin-1-ium perchlorate
CID 20998154
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
2-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methylbutanoic acid
CID 23736058
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
CID 20998308
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(4E)-2-(4-methoxyphenyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)imino]chromen-6-ol
CID 20998312
(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
CID 20998329
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate?
The IUPAC name of 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate (CID 20998297) is 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate?
The canonical SMILES for 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate is COc1ccc(-c2cc(=[N+]3CCOCC3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate?
The InChIKey is DIJUFXUACWOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4.ClHO4/c1-23-16-5-2-14(3-6-16)20-13-18(21-8-10-24-11-9-21)17-12-15(22)4-7-19(17)25-20;2-1(3,4)5/h2-7,12-13H,8-11H2,1H3;(H,2,3,4,5).
What are the key properties of 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate?
2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate has a molecular weight of 437.83 g/mol, XLogP of -2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate is sourced from PubChem (CID 20998297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).