5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C20H22O7 — CID 11749149

IUPAC5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOCOc1cc(OCOC)c2c(c1)OCC(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C20H22O7/c1-22-11-26-15-8-17-19(18(9-15)27-12-23-2)20(21)16(10-25-17)13-4-6-14(24-3)7-5-13/h4-9,16H,10-12H2,1-3H3
InChIKeyZUEXWEDLJBVOHM-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.02
Rot. Bonds8

About 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 11749149) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID11749149
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOCOc1cc(OCOC)c2c(c1)OCC(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C20H22O7/c1-22-11-26-15-8-17-19(18(9-15)27-12-23-2)20(21)16(10-25-17)13-4-6-14(24-3)7-5-13/h4-9,16H,10-12H2,1-3H3
InChIKeyZUEXWEDLJBVOHM-UHFFFAOYSA-N
XLogP3.02
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
CID 161062460
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163087597
[3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 10342512
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
CID 23147496
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
5-hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
CID 163023978
2-[3,4-bis(methoxymethoxy)phenyl]oxirane
CID 13466105
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 11749149) is 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COCOc1cc(OCOC)c2c(c1)OCC(c1ccc(OC)cc1)C2=O.
What is the InChIKey of 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is ZUEXWEDLJBVOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-22-11-26-15-8-17-19(18(9-15)27-12-23-2)20(21)16(10-25-17)13-4-6-14(24-3)7-5-13/h4-9,16H,10-12H2,1-3H3.
What are the key properties of 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11749149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).