6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one

C19H18O6 — CID 122188451

IUPAC6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)c(OC)c3oc2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-13-7-5-11(6-8-13)14-9-12-10-15(22-2)17(23-3)18(24-4)16(12)25-19(14)20/h5-10H,1-4H3
InChIKeyLEZJRULCUJKGIX-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

About 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one

6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 122188451) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
PubChem CID122188451
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)c(OC)c3oc2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-13-7-5-11(6-8-13)14-9-12-10-15(22-2)17(23-3)18(24-4)16(12)25-19(14)20/h5-10H,1-4H3
InChIKeyLEZJRULCUJKGIX-UHFFFAOYSA-N
XLogP3.49
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one (CID 122188451) is 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc3cc(OC)c(OC)c(OC)c3oc2=O)cc1.
What is the InChIKey of 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is LEZJRULCUJKGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-13-7-5-11(6-8-13)14-9-12-10-15(22-2)17(23-3)18(24-4)16(12)25-19(14)20/h5-10H,1-4H3.
What are the key properties of 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one?
6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 122188451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).