(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one

C20H22O7 — CID 23270520

IUPAC(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O
InChIInChI=1S/C20H22O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10,19-20H,1-5H3/t19-,20+/m0/s1
InChIKeyWFMGLSDCEHHQMJ-VQTJNVASSA-N
MW374.39 g/mol
LogP3.05
Rot. Bonds6

About (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one

(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one (PubChem CID 23270520) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
PubChem CID23270520
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O
InChIInChI=1S/C20H22O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10,19-20H,1-5H3/t19-,20+/m0/s1
InChIKeyWFMGLSDCEHHQMJ-VQTJNVASSA-N
XLogP3.05
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2S,3R)-2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]-5-methoxy-2,3-dihydrochromen-4-one
CID 71004742
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
CID 169180213
[2-(3,4-diacetyloxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 11259330
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 44559460
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] 3-[(3,4-dimethoxybenzoyl)amino]-4-fluorobenzoate
CID 122179401
4,6-dimethoxy-2-propyl-1-benzofuran-3-one
CID 83048905

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one (CID 23270520) is (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one is COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O.
What is the InChIKey of (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is WFMGLSDCEHHQMJ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H22O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10,19-20H,1-5H3/t19-,20+/m0/s1.
What are the key properties of (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one?
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 23270520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).