7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one

C39H42O12 — CID 161062460

IUPAC7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1.COCOc1ccc(C2COc3cc(OCOC)ccc3C2=O)cc1
InChIInChI=1S/C20H22O6.C19H20O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21;1-21-11-24-14-5-3-13(4-6-14)17-10-23-18-9-15(25-12-22-2)7-8-16(18)19(17)20/h4-10H,11-13H2,1-3H3;3-9,17H,10-12H2,1-2H3
InChIKeyUDONCRNDRXOBMC-UHFFFAOYSA-N
MW702.75 g/mol
LogP6.20
Rot. Bonds14

About 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one

7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one (PubChem CID 161062460) has the molecular formula C39H42O12 and a molecular weight of 702.75 g/mol. Its IUPAC name is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one.

Molecular Properties

Compound Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
PubChem CID161062460
Molecular FormulaC39H42O12
Molecular Weight702.75 g/mol
Exact Mass702.27
IUPAC Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1.COCOc1ccc(C2COc3cc(OCOC)ccc3C2=O)cc1
InChIInChI=1S/C20H22O6.C19H20O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21;1-21-11-24-14-5-3-13(4-6-14)17-10-23-18-9-15(25-12-22-2)7-8-16(18)19(17)20/h4-10H,11-13H2,1-3H3;3-9,17H,10-12H2,1-2H3
InChIKeyUDONCRNDRXOBMC-UHFFFAOYSA-N
XLogP6.20
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500702.75
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one with MolForge

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Related Compounds

7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
CID 15481763
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-thiochromen-4-one
CID 22033246
5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 11749149
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene
CID 23538005
7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
CID 22033069
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 121328247
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
CID 21287367

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The IUPAC name of 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) is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one.
What is the SMILES notation for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The canonical SMILES for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one is COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1.COCOc1ccc(C2COc3cc(OCOC)ccc3C2=O)cc1.
What is the InChIKey of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The InChIKey is UDONCRNDRXOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6.C19H20O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21;1-21-11-24-14-5-3-13(4-6-14)17-10-23-18-9-15(25-12-22-2)7-8-16(18)19(17)20/h4-10H,11-13H2,1-3H3;3-9,17H,10-12H2,1-2H3.
What are the key properties of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one has a molecular weight of 702.75 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one is sourced from PubChem (CID 161062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).