(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one

C20H22O6 — CID 163105544

IUPAC(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(C)c3O2)c(OC)c1
InChIInChI=1S/C20H22O6/c1-11-15(23-3)10-18(25-5)19-14(21)9-17(26-20(11)19)13-7-6-12(22-2)8-16(13)24-4/h6-8,10,17H,9H2,1-5H3/t17-/m0/s1
InChIKeyPOAYRMWLLITKDN-KRWDZBQOSA-N
MW358.39 g/mol
LogP3.74
Rot. Bonds5

About (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one

(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 163105544) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
PubChem CID163105544
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(C)c3O2)c(OC)c1
InChIInChI=1S/C20H22O6/c1-11-15(23-3)10-18(25-5)19-14(21)9-17(26-20(11)19)13-7-6-12(22-2)8-16(13)24-4/h6-8,10,17H,9H2,1-5H3/t17-/m0/s1
InChIKeyPOAYRMWLLITKDN-KRWDZBQOSA-N
XLogP3.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 44608053
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506641
(2S)-8-[5-[(2S)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163039099
(8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 10322205
(2S)-2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163028727
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(2,4-dimethoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166628348
(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101048
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162807777
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one (CID 163105544) is (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one is COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(C)c3O2)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is POAYRMWLLITKDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22O6/c1-11-15(23-3)10-18(25-5)19-14(21)9-17(26-20(11)19)13-7-6-12(22-2)8-16(13)24-4/h6-8,10,17H,9H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one?
(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163105544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).