6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one

C19H18O3 — CID 58480721

IUPAC6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccc(C)cc3)coc2cc1OC
InChIInChI=1S/C19H18O3/c1-4-13-9-15-18(10-17(13)21-3)22-11-16(19(15)20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeyVFPOBWRWDVAZPA-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.34
Rot. Bonds3

About 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one

6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one (PubChem CID 58480721) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
PubChem CID58480721
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccc(C)cc3)coc2cc1OC
InChIInChI=1S/C19H18O3/c1-4-13-9-15-18(10-17(13)21-3)22-11-16(19(15)20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeyVFPOBWRWDVAZPA-UHFFFAOYSA-N
XLogP4.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one (CID 58480721) is 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one is CCc1cc2c(=O)c(-c3ccc(C)cc3)coc2cc1OC.
What is the InChIKey of 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one?
The InChIKey is VFPOBWRWDVAZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-13-9-15-18(10-17(13)21-3)22-11-16(19(15)20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3.
What are the key properties of 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one?
6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one has a molecular weight of 294.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 58480721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).