(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C20H18O7 — CID 7934790

IUPAC(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1cccc(OC)c1OC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H18O7/c1-12-9-18(21)26-17-10-13(7-8-14(12)17)25-11-19(22)27-20-15(23-2)5-4-6-16(20)24-3/h4-10H,11H2,1-3H3
InChIKeyLONVUOZXCZMAEP-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.10
Rot. Bonds6

About (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 7934790) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID7934790
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1cccc(OC)c1OC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H18O7/c1-12-9-18(21)26-17-10-13(7-8-14(12)17)25-11-19(22)27-20-15(23-2)5-4-6-16(20)24-3/h4-10H,11H2,1-3H3
InChIKeyLONVUOZXCZMAEP-UHFFFAOYSA-N
XLogP3.10
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(2,6-dimethoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7698711
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
CID 18870058
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19168767
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19172544
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 7934790) is (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is COc1cccc(OC)c1OC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is LONVUOZXCZMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-12-9-18(21)26-17-10-13(7-8-14(12)17)25-11-19(22)27-20-15(23-2)5-4-6-16(20)24-3/h4-10H,11H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 370.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 7934790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).