6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C18H16O4 — CID 28811781

IUPAC6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCCc1ccc2oc(-c3ccc(O)c(OC)c3)cc(=O)c2c1
InChIInChI=1S/C18H16O4/c1-3-11-4-7-16-13(8-11)15(20)10-17(22-16)12-5-6-14(19)18(9-12)21-2/h4-10,19H,3H2,1-2H3
InChIKeyULIMZNDSFOCZNP-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.74
Rot. Bonds3

About 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 28811781) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID28811781
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCCc1ccc2oc(-c3ccc(O)c(OC)c3)cc(=O)c2c1
InChIInChI=1S/C18H16O4/c1-3-11-4-7-16-13(8-11)15(20)10-17(22-16)12-5-6-14(19)18(9-12)21-2/h4-10,19H,3H2,1-2H3
InChIKeyULIMZNDSFOCZNP-UHFFFAOYSA-N
XLogP3.74
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 28811781) is 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is CCc1ccc2oc(-c3ccc(O)c(OC)c3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is ULIMZNDSFOCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-3-11-4-7-16-13(8-11)15(20)10-17(22-16)12-5-6-14(19)18(9-12)21-2/h4-10,19H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 28811781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).