5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one

C21H16O4 — CID 142743418

IUPAC5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
SMILESCOc1ccc2ccccc2c1-c1cc(=O)c2c(OC)cccc2o1
InChIInChI=1S/C21H16O4/c1-23-16-8-5-9-18-21(16)15(22)12-19(25-18)20-14-7-4-3-6-13(14)10-11-17(20)24-2/h3-12H,1-2H3
InChIKeyIXRNZYQMMNONQQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.63
Rot. Bonds3

About 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one

5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one (PubChem CID 142743418) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
PubChem CID142743418
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
SMILESCOc1ccc2ccccc2c1-c1cc(=O)c2c(OC)cccc2o1
InChIInChI=1S/C21H16O4/c1-23-16-8-5-9-18-21(16)15(22)12-19(25-18)20-14-7-4-3-6-13(14)10-11-17(20)24-2/h3-12H,1-2H3
InChIKeyIXRNZYQMMNONQQ-UHFFFAOYSA-N
XLogP4.63
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one?
The IUPAC name of 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one (CID 142743418) is 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one.
What is the SMILES notation for 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one?
The canonical SMILES for 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one is COc1ccc2ccccc2c1-c1cc(=O)c2c(OC)cccc2o1.
What is the InChIKey of 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one?
The InChIKey is IXRNZYQMMNONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-23-16-8-5-9-18-21(16)15(22)12-19(25-18)20-14-7-4-3-6-13(14)10-11-17(20)24-2/h3-12H,1-2H3.
What are the key properties of 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one?
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one is sourced from PubChem (CID 142743418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).