2-(3,4,5-trimethoxyphenyl)chromenylium

C18H17O4+ — CID 12986342

IUPAC2-(3,4,5-trimethoxyphenyl)chromenylium
SMILESCOc1cc(-c2ccc3ccccc3[o+]2)cc(OC)c1OC
InChIInChI=1S/C18H17O4/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)22-15/h4-11H,1-3H3/q+1
InChIKeyYGJOLSGHHFUMHV-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,4,5-trimethoxyphenyl)chromenylium

2-(3,4,5-trimethoxyphenyl)chromenylium (PubChem CID 12986342) has the molecular formula C18H17O4+ and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)chromenylium.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)chromenylium
PubChem CID12986342
Molecular FormulaC18H17O4+
Molecular Weight297.33 g/mol
Exact Mass297.11
IUPAC Name2-(3,4,5-trimethoxyphenyl)chromenylium
SMILESCOc1cc(-c2ccc3ccccc3[o+]2)cc(OC)c1OC
InChIInChI=1S/C18H17O4/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)22-15/h4-11H,1-3H3/q+1
InChIKeyYGJOLSGHHFUMHV-UHFFFAOYSA-N
XLogP4.41
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)chromenylium
CID 3826710
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
CID 141321863
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
CID 15538540
2-(4-iodophenyl)-8-methoxychromenylium
CID 91462015
5-methoxybenzo[c]phenanthrene
CID 621003
[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
CID 140893892
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
CID 13045733
2,3-dimethoxy-5-phenylphenol
CID 135042969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)chromenylium?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)chromenylium (CID 12986342) is 2-(3,4,5-trimethoxyphenyl)chromenylium.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)chromenylium?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)chromenylium is COc1cc(-c2ccc3ccccc3[o+]2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)chromenylium?
The InChIKey is YGJOLSGHHFUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O4/c1-19-16-10-13(11-17(20-2)18(16)21-3)15-9-8-12-6-4-5-7-14(12)22-15/h4-11H,1-3H3/q+1.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)chromenylium?
2-(3,4,5-trimethoxyphenyl)chromenylium has a molecular weight of 297.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)chromenylium is sourced from PubChem (CID 12986342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).