2-(3,4-dimethoxyphenyl)chromen-4-one

C17H14O4 — CID 688674

IUPAC2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
InChIKeyZGHORMOOTZTQFL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)chromen-4-one

2-(3,4-dimethoxyphenyl)chromen-4-one (PubChem CID 688674) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)chromen-4-one
PubChem CID688674
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
InChIKeyZGHORMOOTZTQFL-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 2-(3,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)chromen-4-one (CID 688674) is 2-(3,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is ZGHORMOOTZTQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)chromen-4-one?
2-(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 2-(3,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 688674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).