7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one

C20H18O6 — CID 7967883

IUPAC7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCOc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1
InChIInChI=1S/C20H18O6/c1-12-8-20(22)26-19-10-14(5-6-15(12)19)25-11-17(21)16-7-4-13(23-2)9-18(16)24-3/h4-10H,11H2,1-3H3
InChIKeyUKULNLNCWBNOOB-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.38
Rot. Bonds6

About 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one

7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one (PubChem CID 7967883) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
PubChem CID7967883
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCOc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1
InChIInChI=1S/C20H18O6/c1-12-8-20(22)26-19-10-14(5-6-15(12)19)25-11-17(21)16-7-4-13(23-2)9-18(16)24-3/h4-10H,11H2,1-3H3
InChIKeyUKULNLNCWBNOOB-UHFFFAOYSA-N
XLogP3.38
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one (CID 7967883) is 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one is COc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1.
What is the InChIKey of 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The InChIKey is UKULNLNCWBNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-12-8-20(22)26-19-10-14(5-6-15(12)19)25-11-17(21)16-7-4-13(23-2)9-18(16)24-3/h4-10H,11H2,1-3H3.
What are the key properties of 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one has a molecular weight of 354.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 7967883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).