3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one

C19H18O6 — CID 631176

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-14-6-5-11(7-16(14)22-2)13-10-25-15-9-18(24-4)17(23-3)8-12(15)19(13)20/h5-10H,1-4H3
InChIKeyOYSKBZHHLYECLU-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one

3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one (PubChem CID 631176) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
PubChem CID631176
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C19H18O6/c1-21-14-6-5-11(7-16(14)22-2)13-10-25-15-9-18(24-4)17(23-3)8-12(15)19(13)20/h5-10H,1-4H3
InChIKeyOYSKBZHHLYECLU-UHFFFAOYSA-N
XLogP3.49
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one (CID 631176) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one is COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one?
The InChIKey is OYSKBZHHLYECLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-14-6-5-11(7-16(14)22-2)13-10-25-15-9-18(24-4)17(23-3)8-12(15)19(13)20/h5-10H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one has a molecular weight of 342.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 631176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).