(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one

C20H22O7 — CID 163087597

IUPAC(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC[C@H](c1ccc(OC)c(OC)c1OC)C2=O
InChIInChI=1S/C20H22O7/c1-22-11-8-15(24-3)17-16(9-11)27-10-13(18(17)21)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,13H,10H2,1-5H3/t13-/m1/s1
InChIKeyFGJPFUFQGPZGNB-CYBMUJFWSA-N
MW374.39 g/mol
LogP3.09
Rot. Bonds6

About (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one

(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 163087597) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID163087597
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC[C@H](c1ccc(OC)c(OC)c1OC)C2=O
InChIInChI=1S/C20H22O7/c1-22-11-8-15(24-3)17-16(9-11)27-10-13(18(17)21)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,13H,10H2,1-5H3/t13-/m1/s1
InChIKeyFGJPFUFQGPZGNB-CYBMUJFWSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 10342512
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 46232310
(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 162857311
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one
CID 162922972
5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 11749149
5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one
CID 163054492
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689

Frequently Asked Questions

What is the IUPAC name of (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one (CID 163087597) is (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one is COc1cc(OC)c2c(c1)OC[C@H](c1ccc(OC)c(OC)c1OC)C2=O.
What is the InChIKey of (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is FGJPFUFQGPZGNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22O7/c1-22-11-8-15(24-3)17-16(9-11)27-10-13(18(17)21)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,13H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one?
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163087597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).