3-(3,4-dimethoxyphenyl)chromen-4-one

C17H14O4 — CID 11587258

IUPAC3-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3ccccc3c2=O)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-21-14-6-4-3-5-12(14)17(13)18/h3-10H,1-2H3
InChIKeyRRGGHLWZQRDXGM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)chromen-4-one

3-(3,4-dimethoxyphenyl)chromen-4-one (PubChem CID 11587258) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)chromen-4-one
PubChem CID11587258
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3ccccc3c2=O)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-21-14-6-4-3-5-12(14)17(13)18/h3-10H,1-2H3
InChIKeyRRGGHLWZQRDXGM-UHFFFAOYSA-N
XLogP3.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)chromen-4-one (CID 11587258) is 3-(3,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)chromen-4-one is COc1ccc(-c2coc3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is RRGGHLWZQRDXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-15-8-7-11(9-16(15)20-2)13-10-21-14-6-4-3-5-12(14)17(13)18/h3-10H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)chromen-4-one?
3-(3,4-dimethoxyphenyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 11587258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).