2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate

C19H19ClO9 — CID 13045836

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate
SMILESCOc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H19O5.ClHO4/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCCCYCNFTSVBJQB-UHFFFAOYSA-M
MW426.81 g/mol
LogP-0.34
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate (PubChem CID 13045836) has the molecular formula C19H19ClO9 and a molecular weight of 426.81 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate
PubChem CID13045836
Molecular FormulaC19H19ClO9
Molecular Weight426.81 g/mol
Exact Mass426.07
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate
SMILESCOc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H19O5.ClHO4/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCCCYCNFTSVBJQB-UHFFFAOYSA-M
XLogP-0.34
TPSA140.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
CID 13045733
2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
CID 134911918
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrochromen-1-ium perchlorate
CID 134909653
[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
CID 140893892
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
CID 15538540
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 22048158
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
4-methoxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-1-ium-9-one perchlorate
CID 11794967
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate (CID 13045836) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate is COc1cc(OC)c2ccc(-c3ccc(OC)c(OC)c3)[o+]c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate?
The InChIKey is CCCYCNFTSVBJQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19O5.ClHO4/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate has a molecular weight of 426.81 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate is sourced from PubChem (CID 13045836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).