7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride

C20H21ClO5 — CID 15538540

IUPAC7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
SMILESCOc1ccc2c(C)cc(-c3cc(OC)c(OC)c(OC)c3)[o+]c2c1.[Cl-]
InChIInChI=1S/C20H21O5.ClH/c1-12-8-16(25-17-11-14(21-2)6-7-15(12)17)13-9-18(22-3)20(24-5)19(10-13)23-4;/h6-11H,1-5H3;1H/q+1;/p-1
InChIKeyZXQVSYCPQCJQTI-UHFFFAOYSA-M
MW376.84 g/mol
LogP1.73
Rot. Bonds5

About 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride

7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride (PubChem CID 15538540) has the molecular formula C20H21ClO5 and a molecular weight of 376.84 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride.

Molecular Properties

Compound Name7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
PubChem CID15538540
Molecular FormulaC20H21ClO5
Molecular Weight376.84 g/mol
Exact Mass376.11
IUPAC Name7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride
SMILESCOc1ccc2c(C)cc(-c3cc(OC)c(OC)c(OC)c3)[o+]c2c1.[Cl-]
InChIInChI=1S/C20H21O5.ClH/c1-12-8-16(25-17-11-14(21-2)6-7-15(12)17)13-9-18(22-3)20(24-5)19(10-13)23-4;/h6-11H,1-5H3;1H/q+1;/p-1
InChIKeyZXQVSYCPQCJQTI-UHFFFAOYSA-M
XLogP1.73
TPSA48.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-5,7-dimethoxychromenylium perchlorate
CID 13045836
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 172676310
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride?
The IUPAC name of 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride (CID 15538540) is 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride.
What is the SMILES notation for 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride?
The canonical SMILES for 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride is COc1ccc2c(C)cc(-c3cc(OC)c(OC)c(OC)c3)[o+]c2c1.[Cl-].
What is the InChIKey of 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride?
The InChIKey is ZXQVSYCPQCJQTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21O5.ClH/c1-12-8-16(25-17-11-14(21-2)6-7-15(12)17)13-9-18(22-3)20(24-5)19(10-13)23-4;/h6-11H,1-5H3;1H/q+1;/p-1.
What are the key properties of 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride?
7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride has a molecular weight of 376.84 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)chromenylium chloride is sourced from PubChem (CID 15538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).