[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate

C24H20O7 — CID 1409522

IUPAC[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)cc1
InChIInChI=1S/C24H20O7/c1-14-11-15(2)22-18(12-14)21(26)24(23(31-22)19-5-4-10-28-19)30-20(25)13-29-17-8-6-16(27-3)7-9-17/h4-12H,13H2,1-3H3
InChIKeyAAQBGEHJFYIURY-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.66
Rot. Bonds6

About [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate

[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate (PubChem CID 1409522) has the molecular formula C24H20O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
PubChem CID1409522
Molecular FormulaC24H20O7
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)cc1
InChIInChI=1S/C24H20O7/c1-14-11-15(2)22-18(12-14)21(26)24(23(31-22)19-5-4-10-28-19)30-20(25)13-29-17-8-6-16(27-3)7-9-17/h4-12H,13H2,1-3H3
InChIKeyAAQBGEHJFYIURY-UHFFFAOYSA-N
XLogP4.66
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate with MolForge

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Related Compounds

[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
CID 1409502
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate
CID 1409513
3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
CID 1413307
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 1409416
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 1409433
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1409430
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 5059337

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate (CID 1409522) is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)cc1.
What is the InChIKey of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is AAQBGEHJFYIURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O7/c1-14-11-15(2)22-18(12-14)21(26)24(23(31-22)19-5-4-10-28-19)30-20(25)13-29-17-8-6-16(27-3)7-9-17/h4-12H,13H2,1-3H3.
What are the key properties of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate?
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 420.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 1409522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).