6-methoxy-2-(2-phenylethyl)chromen-4-one

C18H16O3 — CID 5319482

IUPAC6-methoxy-2-(2-phenylethyl)chromen-4-one
SMILESCOc1ccc2oc(CCc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyJOYYVGVYUHRBAE-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.59
Rot. Bonds4

About 6-methoxy-2-(2-phenylethyl)chromen-4-one

6-methoxy-2-(2-phenylethyl)chromen-4-one (PubChem CID 5319482) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-methoxy-2-(2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(2-phenylethyl)chromen-4-one
PubChem CID5319482
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name6-methoxy-2-(2-phenylethyl)chromen-4-one
SMILESCOc1ccc2oc(CCc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyJOYYVGVYUHRBAE-UHFFFAOYSA-N
XLogP3.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-phenylethyl)chromen-4-one?
The IUPAC name of 6-methoxy-2-(2-phenylethyl)chromen-4-one (CID 5319482) is 6-methoxy-2-(2-phenylethyl)chromen-4-one.
What is the SMILES notation for 6-methoxy-2-(2-phenylethyl)chromen-4-one?
The canonical SMILES for 6-methoxy-2-(2-phenylethyl)chromen-4-one is COc1ccc2oc(CCc3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-(2-phenylethyl)chromen-4-one?
The InChIKey is JOYYVGVYUHRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 6-methoxy-2-(2-phenylethyl)chromen-4-one?
6-methoxy-2-(2-phenylethyl)chromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-phenylethyl)chromen-4-one is sourced from PubChem (CID 5319482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).