2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one

C19H20O6 — CID 44608053

IUPAC2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)c(OC)c1
InChIInChI=1S/C19H20O6/c1-9-17(21)10(2)19-16(18(9)22)13(20)8-15(25-19)12-6-5-11(23-3)7-14(12)24-4/h5-7,15,21-22H,8H2,1-4H3
InChIKeyFBIHIZHSKWSYGI-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one

2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 44608053) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
PubChem CID44608053
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)c(OC)c1
InChIInChI=1S/C19H20O6/c1-9-17(21)10(2)19-16(18(9)22)13(20)8-15(25-19)12-6-5-11(23-3)7-14(12)24-4/h5-7,15,21-22H,8H2,1-4H3
InChIKeyFBIHIZHSKWSYGI-UHFFFAOYSA-N
XLogP3.44
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one (CID 44608053) is 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is FBIHIZHSKWSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-9-17(21)10(2)19-16(18(9)22)13(20)8-15(25-19)12-6-5-11(23-3)7-14(12)24-4/h5-7,15,21-22H,8H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one?
2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 344.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 44608053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).