2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one

C19H18O7 — CID 5352005

IUPAC2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKeyHHGPYJLEJGNWJA-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one (PubChem CID 5352005) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
PubChem CID5352005
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKeyHHGPYJLEJGNWJA-UHFFFAOYSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one (CID 5352005) is 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one is COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one?
The InChIKey is HHGPYJLEJGNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one has a molecular weight of 358.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one is sourced from PubChem (CID 5352005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).